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:215
Name:2,4-Dichlorobiphenyl
Description:
Labels:
CAS:33284-50-3
InChi Code:InChI=1S/C12H8Cl2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.1

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.25

experimental value

-4.71

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

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