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:186
Name:1,3,5-Tribromobenzene
Description:
Labels:
CAS:626-39-1
InChi Code:InChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
4.51

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.6

experimental value

-5.19

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

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