Table 2.
Intrinsic descriptor | Oleic acid | Octanoic acid | 4-Nitrobenzoic acid | Cyclohexane carboxylic acid | Benzoic acid | Zinc oxide |
Log D | 5.62 | 0.53 | −1.22 | −0.43 | −1.08 | −0.20 |
Polarizability (Å3) | 34.5 | 16.1 | 15.8 | 13.4 | 13.2 | 1.00 |
Polar surface area (Å2) | 37.3 | 37.3 | 83.1 | 37.3 | 37.3 | 17.1 |
VDW surface area (Å2) | 560 | 283 | 211 | 221 | 173 | 50.3 |
Solvent-accessible surface area (Å2) | 689 | 403 | 330 | 260 | 284 | 156 |
Molar refractivity (cm3/mol) | 87.1 | 40.7 | 39.7 | 39.7 | 33.2 | 1.44 |
Dreiding energy (kcal/mol) | 35.7 | 12.1 | 23.1 | 24.8 | 16.6 | 0.00 |