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:210
Name:2,2'-Dichlorobiphenyl
Description:
Labels:
CAS:13029-08-8
InChi Code:InChI=1S/C12H8Cl2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
4.9

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.27

experimental value

-4.82

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

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