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:639
Name:1,2,4,5-Tetrafluorobenzene
Description:
Labels:
CAS:327-54-8
InChi Code:InChI=1S/C6H2F4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.38

experimental value

-2.07

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

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