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:318
Name:3,4,5-Trichloroveratrole
Description:
Labels:
CAS:16766-29-3
InChi Code:InChI=1S/C8H7Cl3O2/c1-12-5-3-4(9)6(10)7(11)8(5)13-2/h3H,1-2H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.37

experimental value

-3.58

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

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