# | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
---|---|---|---|---|---|---|---|
1 | 5.75 < new rubber < 7.5 | 15.862 < Se < 16.036 | 100.0 | 4 | 4 | 4 | |
2 | 5.1 < lavender < 5.9 | 327.638 < SAtot < 333.929 | 100.0 | 4 | 4 | 4 | |
3 | 6.5 < herbal green. cut grass < 6.84 | 15.0 < nCsp3 | 100.0 | 3 | 3 | 3 | |
4 | 5.1 < lavender < 5.4 | 2.9 < O% < 3.0 | 100.0 | 3 | 3 | 3 | |
5 | 10.4 < orange < 10.7 | 324.27 < SAtot < 330.641 | 100.0 | 3 | 3 | 3 | |
6 | 5.1 < lavender < 5.9 | 18.983 < Sv < 19.456 | 100.0 | 4 | 4 | 4 | |
7 | 29.4 < sweaty | 1.146 < Mi et nRCOOH = 1.0 |
100.0 | 4 | 4 | 4 | |
8 | 8.4 < fragrant | 7.0 < nC | 82.9 | 97 | 113 | 101 | |
9 | 6.8 < peanut butter | 11.1 < N% | 80.0 | 4 | 5 | 4 | |
10 | 8.4 < sewer < 10.4 | 10.869 < Se < 12.636 | 80.0 | 4 | 4 | 5 | |
11 | 13.22 < cedarwood | 1.126 < Mi < 1.134 et 1.0 < nCrq |
80.0 | 12 | 14 | 13 | |
12 | 13.22 < cedarwood | 1.126 < Mi < 1.134 et 1.0 < nCq |
80.0 | 12 | 14 | 13 | |
13 | 10.83 < fragrant | 9.876 < Sv et 17.0 < nAT |
79.64 | 90 | 101 | 102 | |
14 | 9.3 < household gas < 16.8 | 75.9 < TPSA(Tot) | 75.0 | 3 | 4 | 3 | |
15 | 14.5 < putrid. foul. decayed < 15.8 | 10.59 < Sv < 10.709 | 75.0 | 3 | 3 | 4 | |
16 | 8.12 < sickening < 9.7 | Hy = -0.158 | 75.0 | 3 | 4 | 3 | |
17 | 22.7 < garlic. onion < 35.42 | 6.241 < Sv < 7.294 | 75.0 | 3 | 3 | 4 | |
18 | 42.7 < perfumery | 5.0 < nCp | 75.0 | 3 | 3 | 4 | |
19 | 6.9 < urine < 7.93 | 191.107 < SAtot < 194.863 | 75.0 | 3 | 3 | 4 | |
20 | 16.0 < cologne | 0.273 < ARR < 0.3 | 75.0 | 3 | 4 | 3 | |
21 | 5.3 < creosote < 5.5 | 161.545 < SAtot < 164.864 | 75.0 | 3 | 4 | 3 | |
22 | 16.0 < cologne | 19.0 < nSK < 22.0 | 75.0 | 3 | 4 | 3 | |
23 | 10.8 < musty. earthy. moldy < 11.0 | -0.931 < Hy < -0.923 | 75.0 | 3 | 3 | 4 | |
24 | 10.9 < sour milk < 18.2 | Hy = 0.046 | 75.0 | 3 | 3 | 4 | |
25 | 6.7 < yeasty < 9.6 | C% = 29.4 | 75.0 | 3 | 3 | 4 | |
26 | 14.67 < gasoline. solvent < 21.07 | 88.19 < MW < 92.15 | 75.0 | 3 | 4 | 3 | |
27 | 17.5 < musk | 5.0 < nCp | 75.0 | 3 | 3 | 4 | |
28 | 14.9 < lemon < 22.3 | 2.8 < O% < 3.0 | 75.0 | 3 | 3 | 4 | |
29 | sharp. pungent. acid < 12.9 | 1.104 < Mi < 1.14 et 33.3 < C% |
72.72 | 80 | 94 | 96 | |
30 | 7.61 < garlic. onion | 1.0 < nS | 69.23 | 9 | 11 | 11 | |
31 | 8.85 < sweet | 1.0 < nDB | 68.93 | 71 | 92 | 82 | |
32 | 7.2 < garlic. onion | 1.0 < nHM | 66.66 | 10 | 12 | 13 | |
33 | 9.4 < varnish < 10.6 | 4.8 < O% < 5.3 | 66.66 | 4 | 4 | 6 | |
34 | 4.85 < metallic < 5.2 | 7.075 < Sv < 7.349 | 66.66 | 4 | 6 | 4 | |
35 | 4.42 < dirty linen < 6.03 | 173.515 < SAtot < 174.635 | 60.0 | 3 | 5 | 3 | |
36 | 4.17 < cadaverous < 5.6 | 86.15 < MW < 90.21 | 60.0 | 3 | 4 | 4 | |
37 | 4.2 < raw cucumber | 25.396 < Se < 26.029 | 60.0 | 3 | 5 | 3 | |
38 | 5.8 < vanilla < 7.9 | 185.824 < SAtot < 188.908 | 60.0 | 3 | 4 | 4 | |
39 | 7.77 < eucaliptus < 8.2 | 23.513 < Se < 24.513 | 60.0 | 3 | 3 | 5 | |
40 | 8.0 < minty. peppermint < 8.5 | 233.96 < SAtot < 239.749 | 60.0 | 3 | 3 | 5 | |
41 | 4.2 < varnish < 5.1 | nR05 = 2.0 | 57.14 | 4 | 5 | 6 | |
42 | 15.03 < spicy < 17.1 | 1.0 < nArCHO | 42.85 | 3 | 5 | 5 | |
43 | 9.0 < herbal green. cut grass < 9.32 | 1.0 < nOHt | 42.85 | 3 | 3 | 7 |
Code | Description | Catégorie | Sous-catégorie | |
---|---|---|---|---|
C% | percentage of C atoms | Constitutional indices | Basic descriptors | |
nC | number of Carbon atoms | Constitutional indices | Basic descriptors | |
O% | percentage of O atoms | Constitutional indices | Basic descriptors | |
Se | sum of atomic Sanderson electronegativities (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
nOHt | number of tertiary alcohols | Functional group counts | Basic descriptors | |
nRCOOH | number of carboxylic acids (aliphatic) | Functional group counts | Basic descriptors | |
ARR | aromatic ratio | Ring descriptors | Basic descriptors | |
nAT | number of atoms | Constitutional indices | Basic descriptors | |
nCq | number of total quaternary C(sp3) | Functional group counts | Basic descriptors | |
nCp | number of terminal primary C(sp3) | Functional group counts | Basic descriptors | |
MW | molecular weight | Constitutional indices | Basic descriptors | |
SAtot | total surface area from P_VSA-like descriptors | Molecular properties | Basic descriptors | |
nArCHO | number of aldehydes (aromatic) | Functional group counts | Basic descriptors | |
nCsp3 | number of sp3 hybridized Carbon atoms | Constitutional indices | Basic descriptors | |
nSK | number of non-H atoms | Constitutional indices | Basic descriptors | |
nDB | number of double bonds | Constitutional indices | Basic descriptors | |
nS | number of Sulfur atoms | Constitutional indices | Basic descriptors | |
nHM | number of heavy atoms | Constitutional indices | Basic descriptors | |
Sv | sum of atomic van der Waals volumes (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
N% | percentage of N atoms | Constitutional indices | Basic descriptors | |
nCrq | number of ring quaternary C(sp3) | Functional group counts | Basic descriptors | |
Hy | hydrophilic factor | Molecular properties | Basic descriptors | |
nR05 | number of 5-membered rings | Ring descriptors | Basic descriptors | |
Mi | mean first ionization potential (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
TPSA(Tot) | topological polar surface area using N,O,S,P polar contributions | Molecular properties | Basic descriptors |