10967/188 - QDB Compounds

QsarDB Repository

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:611
Name:Menthol
Description:
Labels:
CAS:89-78-1
InChi Code:InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
3.23

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.54

experimental value

-2.9

Eq.1: General solubility equation (Test set to verify GSE)