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:97
Name:2,8-Dichlorodibenzofuran
Description:
Labels:
CAS:5409-83-6
InChi Code:InChI=1S/C12H6Cl2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.65

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7.21

experimental value

-6.6

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