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:649
Name:p-Menthan-3-one
Description:Name was changed from Menthone to p-Menthan-3-one
Labels:
CAS:10458-14-7
InChi Code:InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.35

experimental value

-2.33

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