Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.
Compound
| ID: | 387 | |
|---|---|---|
| Name: | Hexyl-4-aminobenzoate | |
| Description: | ||
| Labels: | ||
| CAS: | 13476-55-6 | |
| InChi Code: | InChI=1S/C13H19NO2/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h6-9H,2-5,10,14H2,1H3 |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 3.95 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -3.95 |
experimental value |
| -3.91 |
Eq.1: General solubility equation (Test set to verify GSE) |