10967/188 - QDB Compounds

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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:457
Name:4,5-Dichloroveratrole
Description:
Labels:
CAS:2772-46-5
InChi Code:InChI=1S/C8H8Cl2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.46

experimental value

-3.27

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

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