Table 3. Lipophilicity parameters.
- log P obs : observed value of the octanol/water partition coefficient, taken from the database of the CLOGP software21
- log P calc (Leo) : value estimated with the CLOGP software21
- log P calc (Abraham) : value estimated with Abraham's equation (Eq. 3)
- MLP+ : sum of positive (lipophilic) lipophilicity potentials
- MLP- : sum of negative (hydrophilic) lipophilicity potentials
| Solvent |
log P obs |
log P calc (Leo) |
log P calc (Abraham) |
MLP+ |
MLP- |
| Acetone |
-0.24 |
-0.21 |
-0.16 |
1.14 |
0.40 |
| Acetonitrile |
-0.34 |
-0.39 |
-0.29 |
0.89 |
0.00 |
| Dimethylacetamide |
-0.77 |
-0.80 |
-0.80 |
1.94 |
0.33 |
| Dimethylformamide |
-1.01 |
-1.04 |
-1.18 |
1.46 |
0.35 |
| Dimethylsulfoxide |
-1.35 |
-1.38 |
-1.54 |
0.00 |
2.33 |
| Dioxan |
-0.27 |
-0.39 |
-0.13 |
0.01 |
0.56 |
| Ethyl acetate |
0.73 |
0.71 |
0.78 |
1.99 |
0.38 |
| Hexamethylphosphoramide |
0.28 |
0.11 |
-0.35 |
3.67 |
0.00 |
| Nitromethane |
-0.35 |
-0.28 |
-0.19 |
3.54 |
0.00 |
| Propylene carbonate |
-0.38 |
-0.41 |
-0.66 |
4.63 |
0.00 |
| Tetrahydrofuran |
0.47 |
0.53 |
0.41 |
3.69 |
0.00 |
| Triethylphosphate |
0.80 |
0.28 |
0.68 |
1.23 |
0.39 |