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:86
Name:2,2',3,4,6-Pentachlorobiphenyl
Description:
Labels:
CAS:55215-17-3
InChi Code:InChI=1S/C12H5Cl5/c13-7-4-2-1-3-6(7)10-8(14)5-9(15)11(16)12(10)17/h1-5H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7.43

experimental value

-7.09

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

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