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:39
Name:1,2,3,7-Tetrachlorodibenzo-p-dioxin
Description:
Labels:
CAS:67028-18-6
InChi Code:InChI=1S/C12H4Cl4O2/c13-5-1-2-7-8(3-5)17-9-4-6(14)10(15)11(16)12(9)18-7/h1-4H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-8.65

experimental value

-8.05

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

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