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:622
Name:2-Chloroanisole
Description:
Labels:
CAS:766-51-8
InChi Code:InChI=1S/C7H7ClO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.68

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.46

experimental value

-2.25

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