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:196
Name:1-Hydroxychlordene
Description:
Labels:
CAS:2597-11-7
InChi Code:InChI=1S/C10H6Cl6O/c11-6-7(12)9(14)5-3(1-2-4(5)17)8(6,13)10(9,15)16/h1-5,17H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.46

experimental value

-4.62

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