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:16
Name:1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin
Description:
Labels:
CAS:39227-28-6
InChi Code:InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-9.95

experimental value

-10.59

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

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