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:35
Name:1,2,3,4-Tetrachlorodibenzo-p-dioxin
Description:
Labels:
CAS:30746-58-8
InChi Code:InChI=1S/C12H4Cl4O2/c13-7-8(14)10(16)12-11(9(7)15)17-5-3-1-2-4-6(5)18-12/h1-4H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
7.18

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-8.77

experimental value

-8.41

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

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