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:372
Name:Tetrachloroguaiacol
Description:
Labels:
CAS:2539-17-5
InChi Code:InChI=1S/C7H4Cl4O2/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h12H,1H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.02

experimental value

-4.39

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

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