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:12
Name:2,3,7,8-Tetrachlorodibenzo-p-dioxin
Description:
Labels:
CAS:1746-01-6
InChi Code:InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
6.42

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-10.22

experimental value

-9.61

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

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