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:32
Name:2,3,7,8-Tetrachlorodibenzofuran
Description:
Labels:
CAS:51207-31-9
InChi Code:InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
6.53

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-8.86

experimental value

-8.22

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

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