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:693
Name:Carvone
Description:In original publication melting point for this compound was denoted as <25C.
Labels:
CAS:99-49-0
InChi Code:InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.01

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.06

experimental value

-1.51

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

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