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:135
Name:2,2',4,4'-Tetrachlorobiphenyl
Description:
Labels:
CAS:2437-79-8
InChi Code:InChI=1S/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
6.29

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.51

experimental value

-6.46

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

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