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:504
Name:Cycloheptene
Description:
Labels:
CAS:628-92-2
InChi Code:InChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.18

experimental value

-2.93

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

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