10967/188 - QDB Compounds

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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:48
Name:2,2',3,3',4,4',6-Heptachlorobiphenyl
Description:
Labels:
CAS:52663-71-5
InChi Code:InChI=1S/C12H3Cl7/c13-5-2-1-4(9(16)10(5)17)8-6(14)3-7(15)11(18)12(8)19/h1-3H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-8.3

experimental value

-8.38

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

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