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:322
Name:Decalin
Description:
Labels:
CAS:91-17-8
InChi Code:InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.35

experimental value

-4.29

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

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