| # | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
|---|---|---|---|---|---|---|---|
| 1 | Fruity | 3.0 < N% < 13.0 et 1.0 < nCsp2 < 4.0 et 2.0 < nR03 et 3.0 < nCar < 5.0 ou 7.0 < H% < 10.0 et 0.874 < Ui < 3.43 ou nRCOOH = 33.0 et 1.0 < nHet < 8.0 ou 6.24 < Sv < 6.244 et 0.079 < X% |
51.38 | 446 | 570 | 744 | |
| 2 | Floral | 3.0 < nHet ou nR03 = 1.0 et 9.0 < nCL < 27.0 et 1.141 < Ui < 3.889 ou 4.824 < Sv < 4.843 ou 11.0 < N% < 12.0 et 0.04 < X% < 0.263 ou MW = 143.2 et 18.0 < nAT < 70.0 |
40.58 | 375 | 476 | 823 | |
| 3 | Camphor | 5.042 < Sv < 6.01 et X% < 0.037 et 10.0 < nOHs < 15.0 et TPSA(Tot) < 0.485 ou MW = 100.18 ou 1.682 < Ui < 1.695 et N% < 2.0 |
39.75 | 33 | 66 | 50 | |
| 4 | Musk | MW = 192.28 ou 3.593 < Ui et 28.0 < nR=Cp < 56.0 et 2.339 < TPSA(Tot) ou 5.0 < nCsp2 et 30.0 < nO < 50.0 |
39.34 | 24 | 52 | 33 | |
| 5 | Minty | 136.26 < MW < 168.26 et X% < 0.042 et 16.0 < nRCOOH < 19.0 et 1.671 < Ui < 2.182 ou nR=Cp = 10.0 et nHet < 5.0 et TPSA(Tot) < 0.81 |
33.33 | 28 | 71 | 41 | |
| 6 | Ethereal | 130.16 < MW < 130.21 ou H% < 8.0 et nAT < 29.0 ou 2.089 < TPSA(Tot) < 2.107 et nArNHR < 3.0 ou 0.267 < X% < 0.269 et Ui < 2.502 ou 6.554 < Sv < 6.557 |
33.19 | 81 | 144 | 181 | |
| 7 | Oily | 6.056 < Sv < 8.424 et 0.231 < X% < 0.31 et 17.0 < nR=Cp < 27.0 ou 140.25 < MW < 143.2 ou 1.821 < Ui < 1.834 ou 1.269 < TPSA(Tot) < 1.287 et 20.0 < nO et 2.0 < N% |
32.99 | 131 | 232 | 296 | |
| 8 | Balsamic | 8.0 < nHet et 21.0 < nR=Cp < 54.0 ou MW = 206.31 et 2.0 < nR03 < 3.0 ou 2.843 < Ui < 2.848 et 0.103 < X% < 0.233 ou Sv = 5.657 ou nRCOOH = 36.0 ou 1.586 < TPSA(Tot) < 1.592 |
32.85 | 68 | 152 | 123 | |
| 9 | Vanilin | 6.909 < Sv < 8.008 et 19.0 < nAB < 22.0 et 0.05 < X% < 0.182 et 2.0 < nR03 et TPSA(Tot) < 1.303 |
30.35 | 17 | 26 | 47 | |
| 10 | Waxy | 4.76 < Sv < 5.081 et 0.231 < X% ou 2.933 < Ui < 2.939 et nHet < 3.0 |
29.8 | 31 | 63 | 72 | |
| 11 | Pineapple | MW = 130.21 ou 5.458 < Sv < 5.548 ou 2.284 < TPSA(Tot) < 2.302 et 9.0 < H% < 12.0 et 0.136 < X% < 0.258 ou 84.0 < nR=Cp < 90.0 et nR03 = 2.0 |
29.76 | 25 | 52 | 57 | |
| 12 | Woody | N% < 2.0 ou 3.016 < Ui < 3.108 et X% < 0.083 ou 33.0 < nCs < 34.0 et 129.18 < MW < 266.47 et 3.0 < nArOH < 4.0 et 13.0 < nOHs < 25.0 ou H% = 15.5 ou 115.0 < nR=Cp < 117.0 et 10.0 < nCL |
28.22 | 127 | 223 | 354 | |
| 13 | Balsamic et Floral |
13.0 < nHet et 4.0 < nCrt ou 2.353 < Ui < 2.356 ou 2.535 < TPSA(Tot) < 2.551 et 27.0 < nAT < 40.0 ou MW = 136.21 ou nR=Cp = 48.0 et 22.0 < nO < 40.0 et 0.063 < X% < 0.225 |
28.0 | 28 | 73 | 55 | |
| 14 | Green | 5.0 < H% < 23.0 et 2.0 < N% < 12.0 et 0.846 < Ui < 3.297 ou 11.441 < Sv ou 53.0 < nAT < 54.0 et 0.041 < X% < 0.273 ou nAB = 44.0 ou 4.0 < nArCOOR < 5.0 et 56.07 < MW < 267.54 et nOHs < 26.0 |
27.43 | 313 | 357 | 1097 | |
| 15 | Medicinal | 9.008 < Sv < 9.275 ou nHet = 6.0 ou 2.082 < Ui < 2.084 et 108.1 < MW < 184.68 et X% < 0.095 et TPSA(Tot) < 0.868 |
27.16 | 22 | 41 | 62 | |
| 16 | Herbaceous | 144.29 < MW < 249.39 et 3.0 < nCar < 5.0 et 5.0 < nArOH ou H% = 11.0 et 5.324 < Sv < 11.263 ou 53.0 < nR=Cp < 63.0 et 1.0 < nHet < 10.0 et 0.561 < Ui < 3.503 ou N% = 12.0 ou 3.925 < TPSA(Tot) |
27.11 | 260 | 356 | 863 | |
| 17 | Rose | 15.0 < H% < 29.0 et 0.143 < X% < 0.257 et 2.201 < TPSA(Tot) < 3.24 ou MW = 170.33 et 30.0 < nAT < 55.0 ou 50.0 < nAB < 52.0 et 2.549 < Ui < 3.513 ou 1.0 < nR07 < 3.0 ou 124.0 < nR=Cp < 134.0 et 3.0 < N% < 14.0 |
25.76 | 93 | 176 | 278 | |
| 18 | Caramelic | 15.0 < nO < 27.0 et nR03 = 3.0 ou nR05 = 2.0 ou nCs = 15.0 ou 0.561 < Ui < 0.6 et 6.009 < Sv < 11.622 et 6.0 < nCL < 11.0 et 7.0 < H% < 13.0 ou MW = 182.24 |
25.6 | 21 | 55 | 48 | |
| 19 | Apple | MW = 186.33 ou 5.544 < Sv < 5.661 ou nR=Cp = 39.0 et 0.182 < X% < 0.28 et nR03 = 2.0 et nArNHR < 3.0 et 0.485 < TPSA(Tot) < 3.115 |
25.47 | 27 | 56 | 77 | |
| 20 | Winey | 0.241 < X% < 0.311 et 2.0 < nR03 ou 7.231 < Sv < 7.258 ou 75.0 < nR=Cp < 77.0 et 11.0 < H% < 22.0 et 0.948 < TPSA(Tot) < 3.133 ou 2.242 < Ui < 2.254 et 3.0 < N% et 1.0 < nCsp2 |
25.21 | 60 | 114 | 184 | |
| 21 | Fatty | 4.765 < Sv < 5.832 et 0.241 < X% < 0.31 et 21.0 < nR=Cp < 173.0 ou MW = 112.19 et 4.0 < N% |
25.09 | 66 | 113 | 216 | |
| 22 | Fatty | 4.765 < Sv < 5.832 et 28.0 < nAT < 78.0 et 0.241 < X% ou MW = 112.19 et 16.0 < nR=Cp < 173.0 |
25.09 | 66 | 113 | 216 | |
| 23 | Citrus | 4.787 < Sv < 5.042 et 4.0 < N% ou MW = 136.26 et 11.0 < H% < 16.0 ou 1.995 < TPSA(Tot) < 2.004 |
25.0 | 29 | 78 | 67 | |
| 24 | Spicy | 150.14 < MW < 196.32 et 2.0 < nHet < 11.0 et 0.037 < X% < 0.15 et 0.32 < TPSA(Tot) < 2.212 ou Sv = 5.241 et 11.0 < nCL et 14.0 < nOHs < 21.0 ou 1.859 < Ui < 1.867 |
24.72 | 67 | 133 | 205 | |
| 25 | Gassy | 12.0 < nO < 30.0 et nR03 < 0.0 ou 2.244 < Ui < 2.248 et 5.0 < nCL < 10.0 ou 32.05 < MW < 72.12 et N% < 5.0 et nOxolanes = 4.0 |
23.07 | 21 | 47 | 65 | |
| 26 | Honey | MW = 164.22 ou 8.0 < nHet < 14.0 et 5.966 < Sv < 7.393 et 0.15 < X% < 0.231 et 21.0 < nR=Cp < 59.0 ou TPSA(Tot) = 0.067 et 2.0 < nR03 < 3.0 |
20.56 | 22 | 56 | 73 | |
| 27 | Earthy | MW = 158.27 ou 17.0 < nCL < 19.0 ou 0.063 < X% < 0.067 et 5.295 < Sv < 6.635 et 31.0 < nAT < 49.0 et 7.0 < nSH < 11.0 ou 53.0 < nAB < 54.0 ou 1.107 < Ui < 1.169 |
18.83 | 29 | 83 | 100 | |
| 28 | Animal | 25.0 < nAB < 40.0 et X% < 0.027 ou 148.22 < MW < 149.26 ou nCs = 44.0 ou 2.698 < Ui < 2.713 et 5.741 < Sv < 7.231 et 5.0 < nHet < 14.0 |
18.75 | 18 | 51 | 63 | |
| 29 | Anisic | nR=Cp = 12.0 ou 1.859 < Ui < 2.415 et 5.867 < Sv < 8.243 et 21.0 < nAT < 32.0 et 0.038 < X% < 0.13 et 13.0 < nOHs < 19.0 |
16.34 | 17 | 30 | 91 | |
| 30 | Tobacco | 98.11 < MW < 150.24 et 6.01 < Sv < 8.597 et nO < 25.0 et 7.0 < nCL < 12.0 et N% < 2.0 et Ui < 1.709 ou 78.0 < nR=Cp < 79.0 |
15.87 | 20 | 33 | 113 | |
| 31 | Hyacinth | 40.0 < nO < 41.0 ou 6.0 < nHet < 7.0 et 6.01 < Sv < 6.75 et 0.091 < X% < 0.225 ou nAT = 18.0 et 122.18 < MW < 206.31 et 12.0 < H% < 23.0 et 11.0 < nR=Cp < 32.0 et TPSA(Tot) < 2.448 ou nCs = 39.0 |
15.15 | 20 | 31 | 121 | |
| 32 | Ambre | 190.26 < MW < 192.23 ou 39.0 < nO < 46.0 et 0.98 < TPSA(Tot) < 3.05 ou nR=Cp = 52.0 et 17.0 < H% ou 4.94 < Sv < 4.983 et 17.0 < nOHs < 29.0 et 2.614 < Ui < 3.669 |
15.1 | 21 | 37 | 123 | |
| 33 | Ambre | 190.26 < MW < 192.23 ou 39.0 < nO < 46.0 et 0.98 < TPSA(Tot) < 3.05 ou nR=Cp = 52.0 et 17.0 < H% et 2.614 < Ui < 3.669 ou 4.94 < Sv < 4.983 et 17.0 < nOHs < 29.0 |
15.1 | 21 | 37 | 123 | |
| 34 | Leafy | 11.0 < N% < 13.0 ou 0.185 < X% < 0.209 et 4.772 < Sv < 6.104 ou 2.448 < TPSA(Tot) < 2.527 et 13.0 < H% < 18.0 et 38.0 < nR=Cp < 70.0 ou nCs = 43.0 |
14.78 | 21 | 64 | 99 | |
| 35 | Berry et Fruity |
2.161 < Ui < 2.53 ou 2.467 < TPSA(Tot) < 2.526 et 158.27 < MW < 200.3 et 0.083 < X% < 0.265 ou Sv = 5.548 et 22.0 < nO < 34.0 et 2.0 < nHet < 6.0 et 20.0 < nR=Cp < 46.0 |
13.17 | 17 | 37 | 109 | |
| 36 | Tarry | 15.0 < nAT < 35.0 et X% < 0.087 et nCsp2 < 0.0 et 10.0 < nRCOOH < 23.0 |
13.07 | 17 | 22 | 125 | |
| 37 | Nut | 5.159 < Sv < 5.191 ou 24.0 < nCs < 26.0 et 0.125 < X% < 0.283 et 16.0 < nOHs et 2.112 < Ui < 3.212 ou MW = 138.18 et 13.0 < H% |
12.33 | 19 | 47 | 126 | |
| 38 | Orange | 4.983 < Sv < 6.249 et 35.0 < nAT < 52.0 et 8.0 < N% < 10.0 et 2.567 < Ui < 3.513 |
9.82 | 17 | 32 | 158 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| nCL | number of Chlorine atoms | Constitutional indices | Basic descriptors | |
| nCar | number of aromatic C(sp2) | Functional group counts | Basic descriptors | |
| nOxolanes | number of Oxolanes | Functional group counts | Basic descriptors | |
| nHet | number of heteroatoms | Constitutional indices | Basic descriptors | |
| nRCOOH | number of carboxylic acids (aliphatic) | Functional group counts | Basic descriptors | |
| nOHs | number of secondary alcohols | Functional group counts | Basic descriptors | |
| X% | percentage of halogen atoms | Constitutional indices | Basic descriptors | |
| nAT | number of atoms | Constitutional indices | Basic descriptors | |
| nCs | number of total secondary C(sp3) | Functional group counts | Basic descriptors | |
| nR=Cp | number of terminal primary C(sp2) | Functional group counts | Basic descriptors | |
| nArCOOR | number of esters (aromatic) | Functional group counts | Basic descriptors | |
| MW | molecular weight | Constitutional indices | Basic descriptors | |
| nArNHR | number of secondary amines (aromatic) | Functional group counts | Basic descriptors | |
| nCsp2 | number of sp2 hybridized Carbon atoms | Constitutional indices | Basic descriptors | |
| nSH | number of thiols | Functional group counts | Basic descriptors | |
| nAB | number of aromatic bonds | Constitutional indices | Basic descriptors | |
| Ui | unsaturation index | Molecular properties | Basic descriptors | |
| H% | percentage of H atoms | Constitutional indices | Basic descriptors | |
| Sv | sum of atomic van der Waals volumes (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
| nO | number of Oxygen atoms | Constitutional indices | Basic descriptors | |
| N% | percentage of N atoms | Constitutional indices | Basic descriptors | |
| nCrt | number of ring tertiary C(sp3) | Functional group counts | Basic descriptors | |
| nR07 | number of 7-membered rings | Ring descriptors | Basic descriptors | |
| nR05 | number of 5-membered rings | Ring descriptors | Basic descriptors | |
| nArOH | number of aromatic hydroxyls | Functional group counts | Basic descriptors | |
| TPSA(Tot) | topological polar surface area using N,O,S,P polar contributions | Molecular properties | Basic descriptors | |
| nR03 | number of 3-membered rings | Ring descriptors | Basic descriptors |