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:175
Name:3,3'-Dichlorobiphenyl
Description:
Labels:
CAS:2050-67-1
InChi Code:InChI=1S/C12H8Cl2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.3

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.8

experimental value

-5

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

Links to External Resources