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:98
Name:2,2',3,4,5-Pentachlorobiphenyl
Description:
Labels:
CAS:55312-69-1
InChi Code:InChI=1S/C12H5Cl5/c13-8-4-2-1-3-6(8)7-5-9(14)11(16)12(17)10(7)15/h1-5H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7.21

experimental value

-7.22

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

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