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:705
Name:Camphor
Description:
Labels:
CAS:76-22-2
InChi Code:InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.38

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.99

experimental value

-3.2

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

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