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:9
Name:2,2',3,3',4,5,5',6,6'-Nonachlorobiphenyl
Description:
Labels:
CAS:52663-77-1
InChi Code:InChI=1S/C12HCl9/c13-2-1-3(14)7(16)4(6(2)15)5-8(17)10(19)12(21)11(20)9(5)18/h1H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-10.41

experimental value

-10.5

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

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