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:871
Name:Cycloheptanol
Description:
Labels:
CAS:502-41-0
InChi Code:InChI=1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-0.88

experimental value

-1.33

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

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