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:137
Name:2,2',3,5'-Tetrachlorobiphenyl
Description:
Labels:
CAS:41464-39-5
InChi Code:InChI=1S/C12H6Cl4/c13-7-4-5-10(14)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
6

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.47

experimental value

-5.98

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

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