| # | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
|---|---|---|---|---|---|---|---|
| 1 | 8.0 < animal | nBM = 10.0 et O% < 2.4 |
100.0 | 3 | 3 | 3 | |
| 2 | 8.0 < animal | nBM = 10.0 et RBN < 0.0 |
100.0 | 3 | 3 | 3 | |
| 3 | vegetable < 1.0 et 7.0 < woody |
1.133 < Mi < 1.134 et nH = 28.0 |
100.0 | 3 | 3 | 3 | |
| 4 | dusty < 3.0 et 7.0 < woody |
1.133 < Mi < 1.134 et nH = 28.0 |
100.0 | 3 | 3 | 3 | |
| 5 | 2.0 < coniferous < 3.0 et 3.0 < powdery |
1.127 < Mi < 1.13 et 3.0 < nCIC |
100.0 | 3 | 3 | 3 | |
| 6 | 2.0 < coniferous < 3.0 et 3.0 < powdery |
37.5 < C% < 38.6 et 3.0 < nCIC |
100.0 | 3 | 3 | 3 | |
| 7 | coniferous = 1.0 et 7.0 < woody |
1.133 < Mi et 1.0 < nR07 |
100.0 | 3 | 3 | 3 | |
| 8 | 4.0 < animal et 2.0 < erogenic < 3.0 |
nBM = 10.0 et 8.0 < nCsp2 < 11.0 |
100.0 | 3 | 3 | 3 | |
| 9 | 4.0 < animal et 2.0 < erogenic < 3.0 |
nAB = 10.0 et 8.0 < nCsp2 < 11.0 |
100.0 | 3 | 3 | 3 | |
| 10 | 1.0 < smoky < 2.0 et 7.0 < woody |
nBM = 2.0 et 1.0 < nR07 |
100.0 | 3 | 3 | 3 | |
| 11 | coniferous = 3.0 | 1.0 < nCrt et 3.267 < MLOGP < 3.721 et 245.206 < SAtot < 358.224 |
100.0 | 3 | 3 | 3 | |
| 12 | honey = 1.0 et buttery = 2.0 |
3.0 < nO et 51.6 < H% < 57.9 et nRCOOR = 1.0 |
100.0 | 3 | 3 | 3 | |
| 13 | fresh < 2.0 et 8.0 < fruity |
184.31 < MW et 16.305 < Sv < 17.832 et 2.0 < nCrs < 4.0 |
100.0 | 3 | 3 | 3 | |
| 14 | fresh < 2.0 et 8.0 < fruity |
16.305 < Sv < 17.832 et 13.0 < nSK et 2.0 < nCrs < 4.0 |
100.0 | 3 | 3 | 3 | |
| 15 | honey = 1.0 et buttery = 2.0 |
51.6 < H% < 57.9 et nRCOOR = 1.0 et 3.0 < nHAcc |
100.0 | 3 | 3 | 3 | |
| 16 | 6.0 < erogenic ou 4.0 < woody |
254.46 < MW < 258.44 ou 4.0 < nCp < 6.0 et RBN < 3.0 ou 62.2 < H% < 62.9 et 333.929 < SAtot |
92.59 | 25 | 25 | 27 | |
| 17 | medicinal < 0.0 ou dusty = 3.0 |
146.2 < MW < 148.17 ou 3.0 < RBN ou 13.0 < nC ou 1.0 < nRCHO ou 1.0 < nOHp ou 29.46 < TPSA(Tot) < 37.3 et nArCOOR < 0.0 ou 1.104 < Mi < 1.108 ou 15.0 < nSK ou nCt = 2.0 |
91.78 | 201 | 208 | 212 | |
| 18 | 6.0 < woody | 1.0 < nR07 ou Ui < 0.0 et Mi < 1.134 |
90.9 | 10 | 11 | 10 | |
| 19 | 6.0 < woody | 40.814 < Se < 43.698 et Ui < 0.0 ou 1.0 < nR07 |
90.9 | 10 | 11 | 10 | |
| 20 | medicinal < 0.0 ou sweet = 3.0 |
12.0 < nSK < 21.0 ou nR06 < 0.0 et nArOH < 0.0 ou RBN = 3.0 ou H% < 42.9 ou 1.0 < nRCHO ou 212.821 < SAtot < 234.092 et ARR < 0.706 ou 10.0 < nCsp2 < 13.0 ou 1.591 < MLOGP < 1.769 |
90.54 | 201 | 206 | 217 | |
| 21 | citrusy < 0.0 et fatty < 2.0 |
18.0 < nSK ou RBN < 2.0 ou 35.6 < C% ou nRCO = 1.0 ou 1.727 < MLOGP < 2.289 ou 307.86 < SAtot < 312.242 et -0.946 < Hy ou 2.0 < nCIC < 3.0 |
90.43 | 189 | 196 | 202 | |
| 22 | fatty < 0.0 ou 1.0 < aromatic < 2.0 |
1.0 < nCsp3 < 5.0 ou 1.0 < nCIC ou 1.0 < nR=Cp ou MLOGP < 2.156 et nCs < 8.0 ou 2.0 < nROR et H% < 63.4 ou 30.0 < nH et C% < 51.1 ou RBN < 1.0 |
89.76 | 193 | 193 | 215 | |
| 23 | 4.0 < watery < 5.0 ou fruity < 2.0 |
H% < 45.2 ou 35.5 < C% < 37.1 ou 11.0 < nCsp3 ou nRCOOR < 0.0 ou 1.0 < nHDon ou 3.676 < MLOGP < 4.44 |
87.98 | 183 | 189 | 202 | |
| 24 | fresh < 3.0 ou 1.0 < animal |
3.0 < nBM ou 1.0 < nArCHO et H% < 59.6 ou 6.0 < nCs ou 34.14 < TPSA(Tot) < 38.69 ou 3.614 < MLOGP < 4.631 ou 308.248 < SAtot < 313.075 |
86.6 | 194 | 205 | 213 | |
| 25 | 1.0 < erogenic et 6.0 < powdery |
nCp = 6.0 ou 2.0 < nArNO2 |
85.71 | 6 | 7 | 6 | |
| 26 | 5.0 < erogenic < 7.0 | 25.332 < Sv < 25.563 et 44.0 < nBT ou 0.286 < ARR < 0.316 et 1.0 < RBN < 5.0 |
85.71 | 6 | 6 | 7 | |
| 27 | aromatic < 0.0 ou spicy < 0.0 |
nCIC < 0.0 ou 1.0 < nR=Cp et nCb- < 1.0 ou 15.117 < Sv ou O% < 3.7 et nCsp2 < 13.0 ou 0.667 < ARR ou 2.351 < MLOGP < 2.386 et nOHs < 0.0 ou 1.141 < Mi ou 37.3 < TPSA(Tot) et nArCHO < 0.0 |
85.0 | 187 | 193 | 214 | |
| 28 | fatty < 0.0 ou 5.0 < dusty |
Mi < 1.128 ou RBN < 5.0 ou 0.787 < MLOGP < 2.19 ou 409.187 < SAtot < 412.943 et H% < 63.4 et nOHp < 0.0 ou 1.0 < nR06 et C% < 51.1 ou Se < 22.745 |
84.65 | 182 | 187 | 210 | |
| 29 | 2.0 < watery < 5.0 et 4.0 < aldehyde |
Se < 37.258 et 10.0 < RBN < 11.0 ou 64.3 < H% < 65.2 et nCp < 2.0 |
84.61 | 11 | 11 | 13 | |
| 30 | 8.0 < woody | 15.0 < nC < 16.0 ou 1.0 < nR07 et nCt = 3.0 |
83.33 | 5 | 6 | 5 | |
| 31 | 5.0 < fatty | 8.0 < RBN < 10.0 ou 10.0 < nCsp3 < 11.0 et 1.0 < nOHp |
83.33 | 5 | 6 | 5 | |
| 32 | 2.0 < erogenic < 7.0 et 6.0 < powdery |
7.0 < nBM < 8.0 et nCIC = 2.0 ou 0.286 < ARR < 0.316 et 4.0 < nCp < 6.0 |
83.33 | 5 | 5 | 6 | |
| 33 | green < 1.0 ou 1.0 < aromatic |
7.0 < nBM ou 4.0 < nCrs ou 1.0 < nCconj < 4.0 ou 1.0 < nOHp ou -0.79 < Hy et H% < 63.4 ou 242.45 < MW ou nCrt = 2.0 ou 353.246 < SAtot < 357.033 et 9.23 < TPSA(Tot) ou 1.0 < nR05 |
83.09 | 172 | 179 | 200 | |
| 34 | fruity < 0.0 ou buttery < 0.0 |
242.45 < MW < 270.51 ou 14.189 < Se < 19.189 ou 62.5 < H% < 63.2 ou 41.4 < C% < 42.2 ou 8.3 < O% < 9.5 ou 4.0 < nCt ou nRCOOR < 0.0 ou 2.768 < MLOGP < 2.865 |
83.03 | 186 | 200 | 210 | |
| 35 | 2.0 < vegetable ou 1.0 < woody |
13.129 < Sv < 13.876 ou 33.3 < C% < 40.9 ou 1.0 < nR04 ou 1.0 < nCt < 2.0 ou 2.024 < MLOGP < 2.152 et 120.16 < MW < 264.45 ou 40.141 < Se < 44.258 ou nCs = 6.0 ou 1.0 < nR=Cp ou 204.237 < SAtot < 209.916 et nOHp < 0.0 |
81.81 | 153 | 162 | 178 | |
| 36 | 2.0 < vegetable ou 1.0 < woody |
13.129 < Sv < 13.876 ou 33.3 < C% < 40.9 ou 1.0 < nR04 ou nCs = 6.0 ou 1.0 < nCt < 2.0 ou 2.024 < MLOGP < 2.152 et 120.16 < MW < 264.45 ou 40.141 < Se < 44.258 ou 1.0 < nR=Cp ou 204.237 < SAtot < 209.916 et nOHp < 0.0 |
81.81 | 153 | 162 | 178 | |
| 37 | 2.0 < vegetable ou 1.0 < woody |
13.129 < Sv < 13.876 ou 33.3 < C% < 40.9 ou 1.0 < nR04 ou nCs = 6.0 ou 1.0 < nCt < 2.0 ou 2.024 < MLOGP < 2.152 ou 204.237 < SAtot < 209.916 et 120.16 < MW < 264.45 ou 40.141 < Se < 44.258 ou 1.0 < nR=Cp et nOHp < 0.0 |
81.81 | 153 | 162 | 178 | |
| 38 | 2.0 < vegetable ou 1.0 < woody |
33.3 < C% < 40.9 ou 1.0 < nR04 ou 1.0 < nCt < 2.0 ou 2.024 < MLOGP < 2.152 et 120.16 < MW < 264.45 ou 40.141 < Se < 44.258 ou nCs = 6.0 ou 1.0 < nR=Cp ou Hy = -0.877 ou 204.237 < SAtot < 209.916 et nOHp < 0.0 |
81.81 | 153 | 162 | 178 | |
| 39 | 3.0 < watery < 6.0 ou 2.0 < fruity |
3.0 < RBN < 12.0 ou nRCOOR = 1.0 et MW < 240.32 ou 19.745 < Se < 21.629 et 17.07 < TPSA(Tot) ou 1.099 < Mi < 1.102 et nArOH < 0.0 et nArOR < 1.0 ou 48.1 < C% < 48.6 ou nCs = 3.0 et nCq < 1.0 ou -0.912 < Hy < -0.891 ou 1.239 < MLOGP < 1.769 et nCrt < 1.0 et 204.237 < SAtot ou 6.5 < O% < 7.9 |
81.14 | 142 | 147 | 170 | |
| 40 | 3.0 < watery < 6.0 ou 2.0 < fruity |
3.0 < RBN < 12.0 ou nRCOOR = 1.0 et MW < 240.32 ou 19.745 < Se < 21.629 et 17.07 < TPSA(Tot) ou 1.099 < Mi < 1.102 et nArOH < 0.0 et nArOR < 1.0 ou 48.1 < C% < 48.6 ou nCs = 3.0 ou -0.912 < Hy < -0.891 et nCq < 1.0 ou 1.239 < MLOGP < 1.769 et nCrt < 1.0 et 204.237 < SAtot ou 6.5 < O% < 7.9 |
81.14 | 142 | 147 | 170 | |
| 41 | sourish = 4.0 ou aromatic < 0.0 |
29.3 < C% < 38.5 ou 3.17 < MLOGP et nCsp2 < 12.0 ou 0.75 < ARR ou 1.0 < nOHt et 108.15 < MW ou 15.929 < Sv < 16.305 ou 9.4 < O% < 9.5 ou SAtot = 251.108 et nCrs < 5.0 |
80.74 | 151 | 160 | 178 | |
| 42 | sourish = 4.0 ou aromatic < 0.0 |
29.3 < C% < 38.5 ou 3.17 < MLOGP et nCsp2 < 12.0 ou 0.75 < ARR ou 1.0 < nOHt ou SAtot = 251.108 et 108.15 < MW ou 15.929 < Sv < 16.305 ou 9.4 < O% < 9.5 et nCrs < 5.0 |
80.74 | 151 | 160 | 178 | |
| 43 | sourish = 4.0 ou aromatic < 0.0 |
29.3 < C% < 38.5 ou 3.17 < MLOGP et nCsp2 < 12.0 ou 9.4 < O% < 9.5 ou 0.75 < ARR ou 1.0 < nOHt ou SAtot = 251.108 et 108.15 < MW ou 15.929 < Sv < 16.305 et nCrs < 5.0 |
80.74 | 151 | 160 | 178 | |
| 44 | 6.0 < floral et 1.0 < lavender |
1.0 < nOHt et 2.545 < MLOGP < 2.894 |
80.0 | 4 | 4 | 5 | |
| 45 | 7.0 < woody | RBN < 0.0 et 1.0 < nR07 ou 3.941 < MLOGP < 4.145 |
80.0 | 8 | 8 | 10 | |
| 46 | 3.0 < floral < 6.0 ou 1.0 < buttery |
166.29 < MW < 258.44 ou 1.0 < nRCOOH et 2.5 < O% ou 45.0 < H% < 57.8 et Hy < -0.244 ou 39.814 < Se < 40.698 ou 1.146 < Mi < 1.149 ou RBN = 6.0 ou 1.0 < nR=Cp ou 29.46 < TPSA(Tot) < 30.21 et 1.0 < nHet et nPyridines < 0.0 ou 0.857 < ARR et nCt < 2.0 |
80.0 | 160 | 167 | 193 | |
| 47 | 3.0 < watery < 5.0 ou 2.0 < fruity < 8.0 |
164.27 < MW < 180.22 ou 5.0 < RBN < 12.0 ou 4.5 < O% < 9.5 ou nR=Cs = 2.0 et nArOH < 0.0 et nArOR < 1.0 ou 2.998 < MLOGP < 3.17 et 19.745 < Se < 46.047 ou nCs = 3.0 et nCq < 1.0 ou 1.098 < Mi < 1.108 et 1.0 < nHet < 4.0 et 12.89 < TPSA(Tot) ou 51.1 < C% < 52.2 ou -0.164 < Hy < -0.161 |
80.0 | 136 | 143 | 163 | |
| 48 | 3.0 < watery < 5.0 ou 2.0 < fruity < 8.0 |
164.27 < MW < 180.22 ou 5.0 < RBN < 12.0 ou 4.5 < O% < 9.5 ou nR=Cs = 2.0 et nArOH < 0.0 et nArOR < 1.0 ou 2.998 < MLOGP < 3.17 et 19.745 < Se < 46.047 ou nCs = 3.0 et nCq < 1.0 ou 1.098 < Mi < 1.108 ou -0.164 < Hy < -0.161 et 1.0 < nHet < 4.0 et 12.89 < TPSA(Tot) ou 51.1 < C% < 52.2 |
80.0 | 136 | 143 | 163 | |
| 49 | 6.0 < fresh ou aromatic < 0.0 |
58.3 < H% < 63.0 ou 4.0 < nCsp3 ou 0.75 < ARR ou 1.0 < nCrs < 3.0 ou -0.651 < Hy < -0.334 et O% < 9.5 ou Se < 15.764 ou 4.0 < nO ou 2.351 < MLOGP < 2.386 et 108.15 < MW |
79.79 | 154 | 158 | 189 | |
| 50 | citrusy = 1.0 ou 2.0 < fruity |
nRCOOR = 1.0 et MLOGP < 3.917 ou 12.929 < Sv < 13.778 ou 29.4 < C% < 30.0 ou 2.0 < nCs < 3.0 et nCq < 1.0 ou 11.0 < RBN < 12.0 et 215.657 < SAtot ou 0.75 < ARR < 0.786 ou nCconj = 3.0 ou -0.213 < Hy < -0.161 et 17.305 < Se < 46.047 et nCt < 2.0 ou O% = 5.0 |
79.74 | 126 | 133 | 151 | |
| 51 | metallic = 2.0 ou 2.0 < fruity |
3.0 < RBN ou 2.0 < nHet < 3.0 ou 1.0 < nRCOOR et 88.12 < MW < 240.32 ou 47.6 < C% < 51.1 ou 2.753 < MLOGP < 3.127 et 42.9 < H% ou 20.0 < nAT < 22.0 ou nCsp3 = 6.0 et nN < 1.0 ou 179.249 < SAtot < 201.725 et ARR < 0.786 |
79.6 | 160 | 165 | 196 | |
| 52 | 2.0 < fruity ou sweet < 0.0 |
3.0 < RBN < 12.0 ou 0.733 < ARR < 0.786 ou 1.0 < nRCOOR ou 2.242 < MLOGP < 2.42 et 1.0 < nHet < 4.0 ou 1.0 < nOHp et 13.978 < Se < 45.352 ou 337.685 < SAtot < 363.761 et nOHt < 0.0 et nArOR < 1.0 et 12.89 < TPSA(Tot) ou nBT = 28.0 |
78.91 | 146 | 152 | 179 | |
| 53 | tart < 0.0 ou 1.0 < aromatic < 5.0 |
nAB = 12.0 ou 2.17 < Ui et 1.0 < nO ou MW = 150.24 ou nAT = 33.0 ou nBT < 22.0 ou 37.0 < C% < 37.5 ou 6.0 < nCrs ou 37.3 < TPSA(Tot) < 38.69 |
77.97 | 131 | 144 | 155 | |
| 54 | sourish = 1.0 ou 2.0 < fruity |
1.0 < nRCOOR ou 216.84 < SAtot < 369.664 et nCt < 2.0 ou 5.0 < RBN < 11.0 et 43.5 < H% < 64.7 et nCconj < 3.0 et nArOR < 1.0 ou 9.0 < nCsp2 < 12.0 ou -0.213 < Hy < -0.161 et 17.07 < TPSA(Tot) ou 88.12 < MW < 134.24 ou 19.516 < Se < 19.745 ou 0.75 < ARR < 0.786 ou 3.289 < MLOGP < 3.395 et 10.59 < Sv et N% < 5.0 ou nAT = 14.0 |
77.83 | 151 | 155 | 190 | |
| 55 | 4.0 < spicy et 1.0 < smoky |
1.0 < nN ou 2.0 < nCbH < 3.0 et 14.402 < Sv < 17.832 et 1.121 < Mi < 1.125 |
77.77 | 7 | 9 | 7 | |
| 56 | aldehyde < 0.0 et 1.0 < erogenic |
22.036 < Sv < 25.563 ou 1.0 < nRCO et 32.6 < C% < 43.5 ou nBM = 10.0 et 1.0 < nCIC et nR05 < 1.0 et nR=Cp < 0.0 ou 41.912 < Se < 43.698 |
77.14 | 27 | 30 | 32 | |
| 57 | spicy < 0.0 et 5.0 < powdery |
12.0 < nAB et 3.587 < MLOGP < 3.719 ou 0.286 < ARR < 0.316 et 2.0 < RBN < 5.0 et nCconj < 1.0 ou 254.46 < MW < 258.44 |
76.92 | 10 | 11 | 12 | |
| 58 | 3.0 < fruity ou buttery = 2.0 |
1.0 < nRCOOR ou -0.846 < Hy < -0.835 et 13.0 < nBT < 45.0 et 45.5 < H% < 63.4 et nCt < 1.0 ou 226.35 < MW < 226.4 ou Mi = 1.127 ou O% = 3.7 ou 235.993 < SAtot < 240.147 et 2.0 < RBN < 11.0 et 17.07 < TPSA(Tot) < 43.37 |
76.84 | 73 | 81 | 87 | |
| 59 | 6.0 < erogenic < 7.0 ou 6.0 < woody |
38.0 < nAT < 47.0 et 2.0 < nCIC < 3.0 |
76.47 | 13 | 15 | 15 | |
| 60 | 1.0 < aromatic ou 1.0 < anisic < 4.0 |
18.189 < Se < 24.284 ou nCsp3 < 5.0 ou 1.0 < nArOR et 1.0 < nO < 4.0 ou 6.0 < nCrs < 8.0 ou nCbH = 5.0 et MW < 254.35 et ARR < 0.786 ou nBT = 34.0 et nCq < 0.0 ou nCt = 3.0 et nCp < 3.0 |
75.52 | 108 | 117 | 134 | |
| 61 | floral = 7.0 ou 1.0 < aromatic < 8.0 |
1.0 < nCsp3 < 5.0 ou 4.0 < nCbH < 5.0 et 3.7 < O% ou 154.28 < MW < 156.25 ou 1.104 < Mi < 1.109 ou RBN = 5.0 ou 6.0 < nCrs < 8.0 ou 1.0 < nOHs et nN < 0.0 et nCq < 0.0 ou -0.927 < Hy < -0.917 et nBT < 41.0 ou 42.814 < Se < 44.258 et nCp < 4.0 |
75.16 | 112 | 117 | 144 | |
| 62 | 4.0 < floral < 6.0 et 5.0 < anisic |
19.745 < Se < 20.073 et 0.6 < ARR et nCbH < 4.0 |
75.0 | 3 | 4 | 3 | |
| 63 | 1.0 < erogenic < 5.0 et 6.0 < woody |
222.41 < MW < 246.43 et 2.0 < nCrq ou 37.5 < C% < 37.8 et 367.518 < SAtot |
75.0 | 6 | 6 | 8 | |
| 64 | 1.0 < erogenic < 5.0 et 6.0 < woody |
2.0 < nCq et 3.866 < MLOGP < 4.116 ou 37.5 < C% < 37.8 et 367.518 < SAtot |
75.0 | 6 | 6 | 8 | |
| 65 | 3.0 < fruity ou 1.0 < buttery < 2.0 |
3.0 < nCconj < 4.0 ou 1.0 < nRCOOR et 19.4 < Se < 45.909 ou 18.59 < Sv < 19.171 ou 57.8 < H% < 58.1 ou 3.7 < N% < 5.3 ou nCsp3 = 3.0 ou 3.186 < MLOGP < 3.275 ou 358.224 < SAtot < 371.131 et nArOR < 1.0 et -0.923 < Hy < -0.161 et 15.79 < TPSA(Tot) < 52.6 |
74.43 | 99 | 107 | 125 | |
| 66 | 1.0 < aromatic ou dusty = 4.0 |
1.104 < Mi < 1.127 ou SAtot < 277.185 et 4.0 < O% ou 38.6 < C% < 39.0 et ARR < 0.786 ou MW = 206.36 ou 8.0 < nH < 9.0 ou 6.0 < nCrs < 8.0 ou 2.502 < MLOGP < 2.545 |
74.17 | 112 | 119 | 144 | |
| 67 | sweet = 6.0 ou 1.0 < aromatic |
4.0 < nCar < 6.0 et 0.922 < MLOGP < 3.23 ou 1.0 < nCsp3 < 5.0 et 3.7 < O% ou Mi = 1.127 ou nBT < 22.0 ou 6.0 < nCrs < 8.0 et N% < 5.0 |
73.91 | 102 | 112 | 128 | |
| 68 | green < 2.0 et 1.0 < coniferous |
3.0 < nCrs < 5.0 ou 1.0 < nOHs et 1.0 < nCrt ou 184.36 < MW < 186.33 ou Hy = -0.96 et 59.1 < H% |
73.52 | 25 | 31 | 28 | |
| 69 | 4.0 < vegetable et fruity < 2.0 |
2.0 < nROR ou 235.547 < SAtot < 263.456 et O% < 6.9 ou H% = 45.5 et 2.0 < nCsp3 < 11.0 ou 35.5 < C% < 35.7 et 23.0 < nBT et RBN < 5.0 et nR05 < 1.0 |
71.87 | 23 | 30 | 25 | |
| 70 | 1.0 < metallic et 4.0 < vegetable |
2.0 < nROR ou 235.547 < SAtot < 263.456 et O% < 6.9 ou H% = 45.5 et 2.0 < nCsp3 < 11.0 ou 35.5 < C% < 35.7 et 23.0 < nBT et RBN < 5.0 et nR05 < 1.0 |
71.87 | 23 | 30 | 25 | |
| 71 | 2.0 < fatty ou 1.0 < aldehyde < 2.0 |
nCIC < 0.0 ou 1.0 < nRCHO ou 1.0 < nOHp et 2.25 < MLOGP ou 120.16 < MW < 128.19 et nR=Cp < 0.0 ou 64.5 < H% < 64.7 et 2.0 < RBN ou 14.929 < Sv < 15.349 et 1.0 < nCs < 12.0 |
71.87 | 46 | 54 | 56 | |
| 72 | 1.0 < green < 2.0 ou buttery = 1.0 |
17.644 < Sv < 22.036 ou 30.0 < C% < 32.0 ou nHAcc = 3.0 ou 2.289 < MLOGP < 3.866 ou 234.092 < SAtot < 249.408 et nN < 0.0 et 45.0 < H% et O% < 12.5 ou 4.5 < N% < 5.3 et 1.107 < Mi < 1.146 ou TPSA(Tot) < 9.23 et nSK < 18.0 ou 160.18 < MW < 162.2 ou 0.667 < ARR < 0.706 et 18.636 < Se ou -0.946 < Hy < -0.931 et nArCO < 0.0 |
70.89 | 134 | 143 | 180 | |
| 73 | 1.0 < green < 2.0 ou buttery = 1.0 |
17.644 < Sv < 22.036 ou nHet = 3.0 ou 30.0 < C% < 32.0 ou 2.289 < MLOGP < 3.866 ou 234.092 < SAtot < 249.408 et nN < 0.0 et 45.0 < H% et O% < 12.5 ou 4.5 < N% < 5.3 et 1.107 < Mi < 1.146 ou TPSA(Tot) < 9.23 et nSK < 18.0 ou 160.18 < MW < 162.2 ou 0.667 < ARR < 0.706 et 18.636 < Se ou -0.946 < Hy < -0.931 et nArCO < 0.0 |
70.89 | 134 | 143 | 180 | |
| 74 | 1.0 < citrusy < 7.0 ou vegetable = 5.0 |
nDB = 2.0 et nCconj < 0.0 ou nCIC < 0.0 et 7.0 < nC < 14.0 ou MW = 150.24 ou 22.745 < Se < 23.185 ou -0.96 < Hy < -0.923 et 2.0 < nCsp2 et nCrq < 1.0 ou 65.2 < H% ou 32.0 < C% < 32.3 et 21.0 < nAT < 47.0 et nOHt < 0.0 |
70.66 | 53 | 60 | 68 | |
| 75 | lavender = 1.0 ou 1.0 < woody |
1.127 < Mi < 1.139 ou 1.0 < nCt et 20.956 < Se < 46.909 ou 2.0 < nCbH < 3.0 et 1.239 < MLOGP ou 25.0 < nAT < 26.0 ou TPSA(Tot) = 18.46 et nRCHO < 0.0 ou 200.36 < MW < 204.34 ou -0.257 < Hy < -0.244 et 31.0 < C% < 50.0 ou 44.4 < H% < 45.2 ou 327.122 < SAtot < 335.315 et nBM < 11.0 et O% < 10.7 et nCs < 8.0 et nOHp < 0.0 ou 28.0 < nH < 30.0 |
68.66 | 103 | 115 | 138 | |
| 76 | fresh < 1.0 ou minty = 2.0 |
RBN < 3.0 ou 28.0 < nH ou 3.0 < nCrs < 4.0 ou 2.0 < nCb- et 1.0 < nHet et H% < 64.2 et nRCHO < 0.0 ou MW = 192.28 ou 21.09 < Sv < 21.322 ou nBM = 8.0 ou 36.7 < C% < 37.9 |
68.45 | 115 | 121 | 162 | |
| 77 | 4.0 < green < 5.0 ou 1.0 < fruity < 2.0 |
nRCOOR < 0.0 ou 1.0 < nROH et 1.0 < RBN < 11.0 ou 35.5 < C% < 35.7 ou -0.795 < Hy < -0.768 et nArOH < 0.0 et 157.763 < SAtot < 403.253 ou 19.698 < Sv < 20.117 ou 1.102 < Mi < 1.104 ou 10.0 < nCs < 11.0 et O% < 11.8 et nCt < 2.0 ou MW = 166.19 ou nAT = 40.0 et nR=Cs < 2.0 |
68.35 | 108 | 119 | 147 | |
| 78 | 2.0 < fatty ou 8.0 < aldehyde |
61.9 < H% ou 35.1 < C% < 35.5 ou 5.0 < nCs < 8.0 et nCrs < 0.0 et nR=Cp < 0.0 et 2.446 < MLOGP ou 1.0 < nOHp et 6.0 < nCsp3 < 15.0 |
67.34 | 33 | 42 | 40 | |
| 79 | 1.0 < vegetable < 2.0 et 6.0 < medicinal |
nH < 9.0 ou nArCOOR = 1.0 et 1.117 < Mi < 1.123 et 1.859 < MLOGP |
66.66 | 4 | 4 | 6 | |
| 80 | fruity < 0.0 et 1.0 < smoky < 2.0 |
nO < 0.0 ou 1.0 < nArOH et nCs < 0.0 ou nCrs = 5.0 ou 277.868 < SAtot < 278.44 et 2.0 < nBM < 11.0 et Hy < -0.235 |
66.66 | 14 | 15 | 20 | |
| 81 | fruity < 0.0 et 1.0 < smoky < 2.0 |
nO < 0.0 ou 1.0 < nArOH et nCs < 0.0 ou nCrs = 5.0 ou 277.868 < SAtot < 278.44 et 3.0 < nCsp2 < 9.0 et Hy < -0.235 |
66.66 | 14 | 15 | 20 | |
| 82 | 4.0 < watery ou 1.0 < erogenic |
23.181 < Sv < 25.332 ou 2.2 < O% < 3.3 ou 1.0 < nArCO et 316.078 < SAtot < 438.243 ou 29.28 < Se < 29.284 ou 4.5 < N% < 8.3 et H% < 65.2 |
66.1 | 39 | 51 | 47 | |
| 83 | erogenic = 1.0 ou 3.0 < dusty |
35.6 < C% < 39.3 ou 3.4 < N% < 5.0 et 16.456 < Sv < 25.805 ou 41.7 < H% < 42.1 ou 12.89 < TPSA(Tot) < 15.79 ou 235.547 < SAtot < 236.268 et 20.0 < nBT ou O% = 7.4 et nRCOOR < 0.0 ou 262.43 < MW < 264.45 |
66.1 | 39 | 53 | 45 | |
| 84 | 3.0 < fresh < 5.0 ou minty = 1.0 |
13.876 < Sv < 14.305 ou nCt = 1.0 ou -0.856 < Hy < -0.807 et nCconj < 0.0 ou 1.142 < Mi < 1.145 et nCs < 8.0 et 215.657 < SAtot < 409.187 ou 9.0 < RBN < 10.0 ou 3.59 < MLOGP < 3.681 et H% < 64.7 ou 152.16 < MW < 154.28 ou 30.3 < C% < 30.4 ou TPSA(Tot) = 9.23 et nC < 14.0 |
65.83 | 79 | 87 | 112 | |
| 85 | 3.0 < erogenic < 7.0 | O% < 2.5 et nR05 = 1.0 ou 23.831 < Sv < 25.563 et 1.114 < Mi < 1.138 |
64.28 | 9 | 11 | 12 | |
| 86 | 2.0 < earthy < 4.0 et 1.0 < smoky |
1.0 < nArOH ou 1.0 < nPyridines ou 3.77 < MLOGP < 4.107 et RBN < 4.0 et O% < 10.7 ou TPSA(Tot) < 0.0 et 43.8 < H% < 59.6 |
64.28 | 18 | 25 | 21 | |
| 87 | 2.0 < medicinal ou 3.0 < aromatic < 5.0 |
1.0 < nROH ou 0.936 < MLOGP < 2.754 et 16.862 < Se < 25.284 ou 48.3 < H% < 48.6 ou nCrs = 4.0 ou 1.0 < nArOH et 1.0 < nR06 ou 1.12 < Mi < 1.121 ou 8.7 < O% < 10.7 ou nCconj = 2.0 et 1.0 < nHet < 3.0 |
63.46 | 66 | 74 | 96 | |
| 88 | 2.0 < medicinal ou 3.0 < aromatic < 5.0 |
1.0 < nROH ou 0.936 < MLOGP < 2.754 et 16.862 < Se < 25.284 ou 1.12 < Mi < 1.121 ou 48.3 < H% < 48.6 ou nCrs = 4.0 ou 1.0 < nArOH et 1.0 < nR06 ou 8.7 < O% < 10.7 ou nCconj = 2.0 et 1.0 < nHet < 3.0 |
63.46 | 66 | 74 | 96 | |
| 89 | fruity < 0.0 et buttery < 0.0 |
4.2 < N% ou 1.0 < nCrt ou 1.0 < nArOH ou 2.0 < nROR ou 277.868 < SAtot < 278.44 et RBN < 5.0 et nR=Cs < 2.0 ou 30.0 < nH ou nHAcc < 0.0 et 15.764 < Se < 51.676 et 32.1 < C% < 50.0 |
63.29 | 50 | 62 | 67 | |
| 90 | 4.0 < dusty et earthy = 4.0 |
2.0 < nCrt et 1.0 < nHDon ou nCrs = 4.0 et 1.129 < Mi < 1.136 et nR05 < 1.0 |
62.5 | 5 | 7 | 6 | |
| 91 | 2.0 < aromatic < 3.0 ou 1.0 < anisic < 4.0 |
15.862 < Se < 22.073 ou 10.5 < O% < 12.5 ou nCsp3 = 5.0 ou 1.0 < nArCOOR et 1.108 < Mi < 1.13 et 0.945 < MLOGP < 3.442 ou 4.0 < nC < 6.0 et 1.0 < nHAcc < 3.0 ou nCbH = 10.0 et 28.6 < C% < 50.0 et Hy < -0.161 |
62.33 | 48 | 60 | 65 | |
| 92 | 2.0 < aromatic < 3.0 ou 1.0 < anisic < 4.0 |
15.862 < Se < 22.073 ou 10.5 < O% < 12.5 ou nCsp3 = 5.0 ou 1.0 < nArCOOR et 1.108 < Mi < 1.13 et 0.945 < MLOGP < 3.442 ou 4.0 < nC < 6.0 et 1.0 < nHAcc < 3.0 et Hy < -0.161 ou nCbH = 10.0 et 28.6 < C% < 50.0 |
62.33 | 48 | 60 | 65 | |
| 93 | 2.0 < aromatic < 3.0 ou 1.0 < anisic < 4.0 |
15.862 < Se < 22.073 ou 10.5 < O% < 12.5 ou nCsp3 = 5.0 ou 1.0 < nArCOOR et 1.108 < Mi < 1.13 et 1.0 < nHAcc < 3.0 et 0.945 < MLOGP < 3.442 ou 4.0 < nC < 6.0 et Hy < -0.161 ou nCbH = 10.0 et 28.6 < C% < 50.0 |
62.33 | 48 | 60 | 65 | |
| 94 | fresh < 0.0 ou spicy = 2.0 |
nCIC = 2.0 ou nCs < 0.0 et 2.0 < nCsp2 ou 14.59 < Sv < 14.709 ou 14.0 < nCsp3 et 12.03 < TPSA(Tot) ou 206.36 < MW < 208.28 et nROR < 0.0 ou 54.5 < H% < 55.2 |
62.2 | 79 | 96 | 110 | |
| 95 | 7.0 < anisic ou 1.0 < balsamic |
18.983 < Sv < 19.171 ou 8.0 < nCsp2 < 15.0 ou 1.0 < nR05 ou 1.0 < nR07 et ARR < 0.8 ou 0.922 < MLOGP < 1.312 et 1.0 < nHAcc < 3.0 ou MW = 192.28 ou 1.104 < Mi < 1.109 ou 44.4 < C% < 45.0 et nArCO < 0.0 |
60.41 | 58 | 68 | 86 | |
| 96 | 5.0 < animal | nAB = 10.0 et 3.17 < Uc < 3.585 |
60.0 | 3 | 5 | 3 | |
| 97 | 5.0 < animal | 8.0 < nBM < 11.0 et nAB = 10.0 |
60.0 | 3 | 5 | 3 | |
| 98 | 7.0 < erogenic | 256.43 < MW < 258.44 et 17.0 < nSK |
60.0 | 3 | 4 | 4 | |
| 99 | citrusy = 2.0 et floral = 3.0 |
19.224 < Sv < 20.036 ou nR=Ct = 1.0 et 2.4 < O% < 2.6 |
60.0 | 3 | 4 | 4 | |
| 100 | 1.0 < metallic < 2.0 et animal < 0.0 |
13.876 < Sv < 22.278 ou 1.0 < nR=Cp et nCbH < 9.0 ou nBM = 1.0 et 88.12 < MW < 254.35 ou 21.629 < Se < 22.949 ou Hy = -0.848 ou 1.977 < MLOGP < 2.083 et 1.104 < Mi |
58.24 | 113 | 115 | 192 | |
| 101 | 4.0 < watery < 7.0 ou 5.0 < fatty < 6.0 |
228.26 < MW < 232.4 ou 8.0 < RBN < 10.0 ou 2.8 < O% < 3.0 et nRCOOR < 0.0 et 3.457 < MLOGP |
57.14 | 12 | 20 | 13 | |
| 102 | 4.0 < coniferous < 5.0 ou 4.0 < dusty |
RBN < 0.0 ou C% = 37.8 ou 298.621 < SAtot < 303.262 et 1.126 < Mi < 1.136 |
50.0 | 16 | 26 | 22 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| nCrq | number of ring quaternary C(sp3) | Functional group counts | Basic descriptors | |
| nCsp2 | number of sp2 hybridized Carbon atoms | Constitutional indices | Basic descriptors | |
| nROR | number of ethers (aliphatic) | Functional group counts | Basic descriptors | |
| nRCOOR | number of esters (aliphatic) | Functional group counts | Basic descriptors | |
| SAtot | total surface area from P_VSA-like descriptors | Molecular properties | Basic descriptors | |
| H% | percentage of H atoms | Constitutional indices | Basic descriptors | |
| nROH | number of hydroxyl groups | Functional group counts | Basic descriptors | |
| nRCOOH | number of carboxylic acids (aliphatic) | Functional group counts | Basic descriptors | |
| RBN | number of rotatable bonds | Constitutional indices | Basic descriptors | |
| N% | percentage of N atoms | Constitutional indices | Basic descriptors | |
| Ui | unsaturation index | Molecular properties | Basic descriptors | |
| nAT | number of atoms | Constitutional indices | Basic descriptors | |
| nCt | number of total tertiary C(sp3) | Functional group counts | Basic descriptors | |
| nCs | number of total secondary C(sp3) | Functional group counts | Basic descriptors | |
| nHDon | number of donor atoms for H-bonds (N and O) | Functional group counts | Basic descriptors | |
| TPSA(Tot) | topological polar surface area using N,O,S,P polar contributions | Molecular properties | Basic descriptors | |
| nCq | number of total quaternary C(sp3) | Functional group counts | Basic descriptors | |
| nCconj | number of non-aromatic conjugated C(sp2) | Functional group counts | Basic descriptors | |
| Uc | unsaturation count | Molecular properties | Basic descriptors | |
| nCp | number of terminal primary C(sp3) | Functional group counts | Basic descriptors | |
| Hy | hydrophilic factor | Molecular properties | Basic descriptors | |
| nO | number of Oxygen atoms | Constitutional indices | Basic descriptors | |
| nN | number of Nitrogen atoms | Constitutional indices | Basic descriptors | |
| nOHt | number of tertiary alcohols | Functional group counts | Basic descriptors | |
| nOHs | number of secondary alcohols | Functional group counts | Basic descriptors | |
| nArCOOR | number of esters (aromatic) | Functional group counts | Basic descriptors | |
| nOHp | number of primary alcohols | Functional group counts | Basic descriptors | |
| nH | number of Hydrogen atoms | Constitutional indices | Basic descriptors | |
| nAB | number of aromatic bonds | Constitutional indices | Basic descriptors | |
| nDB | number of double bonds | Constitutional indices | Basic descriptors | |
| nSK | number of non-H atoms | Constitutional indices | Basic descriptors | |
| nC | number of Carbon atoms | Constitutional indices | Basic descriptors | |
| nR=Ct | number of aliphatic tertiary C(sp2) | Functional group counts | Basic descriptors | |
| nR=Cs | number of aliphatic secondary C(sp2) | Functional group counts | Basic descriptors | |
| nR07 | number of 7-membered rings | Ring descriptors | Basic descriptors | |
| nR06 | number of 6-membered rings | Ring descriptors | Basic descriptors | |
| nR05 | number of 5-membered rings | Ring descriptors | Basic descriptors | |
| nArNO2 | number of nitro groups (aromatic) | Functional group counts | Basic descriptors | |
| nR04 | number of 4-membered rings | Ring descriptors | Basic descriptors | |
| nR=Cp | number of terminal primary C(sp2) | Functional group counts | Basic descriptors | |
| nRCHO | number of aldehydes (aliphatic) | Functional group counts | Basic descriptors | |
| nCar | number of aromatic C(sp2) | Functional group counts | Basic descriptors | |
| nHAcc | number of acceptor atoms for H-bonds (N,O,F) | Functional group counts | Basic descriptors | |
| nHet | number of heteroatoms | Constitutional indices | Basic descriptors | |
| nCbH | number of unsubstituted benzene C(sp2) | Functional group counts | Basic descriptors | |
| Sv | sum of atomic van der Waals volumes (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
| nArCO | number of ketones (aromatic) | Functional group counts | Basic descriptors | |
| nArCHO | number of aldehydes (aromatic) | Functional group counts | Basic descriptors | |
| nPyridines | number of Pyridines | Functional group counts | Basic descriptors | |
| nArOR | number of ethers (aromatic) | Functional group counts | Basic descriptors | |
| C% | percentage of C atoms | Constitutional indices | Basic descriptors | |
| Mi | mean first ionization potential (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
| O% | percentage of O atoms | Constitutional indices | Basic descriptors | |
| nBT | number of bonds | Constitutional indices | Basic descriptors | |
| nArOH | number of aromatic hydroxyls | Functional group counts | Basic descriptors | |
| ARR | aromatic ratio | Ring descriptors | Basic descriptors | |
| Se | sum of atomic Sanderson electronegativities (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
| nCIC | number of rings (cyclomatic number) | Ring descriptors | Basic descriptors | |
| nBM | number of multiple bonds | Constitutional indices | Basic descriptors | |
| nCb- | number of substituted benzene C(sp2) | Functional group counts | Basic descriptors | |
| MW | molecular weight | Constitutional indices | Basic descriptors | |
| MLOGP | Moriguchi octanol-water partition coeff. (logP) | Molecular properties | Basic descriptors | |
| nRCO | number of ketones (aliphatic) | Functional group counts | Basic descriptors | |
| nCrt | number of ring tertiary C(sp3) | Functional group counts | Basic descriptors | |
| nCrs | number of ring secondary C(sp3) | Functional group counts | Basic descriptors | |
| nCsp3 | number of sp3 hybridized Carbon atoms | Constitutional indices | Basic descriptors |