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:95
Name:2,3',4',5-Tetrachlorobiphenyl
Description:
Labels:
CAS:32598-11-1
InChi Code:InChI=1S/C12H6Cl4/c13-8-2-4-10(14)9(6-8)7-1-3-11(15)12(16)5-7/h1-6H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
6.39

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7.25

experimental value

-6.8

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

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