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:199
Name:Chlordene
Description:
Labels:
CAS:3734-48-3
InChi Code:InChI=1S/C10H6Cl6/c11-6-7(12)9(14)5-3-1-2-4(5)8(6,13)10(9,15)16/h1-2,4-5H,3H2

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.44

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.39

experimental value

-4.59

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

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