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:458
Name:Piperine
Description:
Labels:
CAS:94-62-2
InChi Code:InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.46

experimental value

-3.48

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

Links to External Resources