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:19
Name:2,2',3,3',4,4',5,5'-Octachlorobiphenyl
Description:
Labels:
CAS:35694-08-7
InChi Code:InChI=1S/C12H2Cl8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
7.4

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-9.47

experimental value

-9.8

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

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