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:773
Name:Eugenol
Description:
Labels:
CAS:97-53-0
InChi Code:InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.56

experimental value

-1.9

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

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