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:675
Name:Dulcin
Description:
Labels:
CAS:150-69-6
InChi Code:InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.17

experimental value

-2.46

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

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