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:239
Name:1,2,3-Tribromobenzene
Description:
Labels:
CAS:608-21-9
InChi Code:InChI=1S/C6H3Br3/c7-4-2-1-3-5(8)6(4)9/h1-3H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.04

experimental value

-4.45

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