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:14
Name:2,2',3,3',4,4',5,5'-Octachlorodiphenyl ether
Description:
Labels:
CAS:57379-40-5
InChi Code:InChI=1S/C12H2Cl8O/c13-3-1-5(9(17)11(19)7(3)15)21-6-2-4(14)8(16)12(20)10(6)18/h1-2H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-10.13

experimental value

-9.51

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

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