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:349
Name:Piroxicam
Description:
Labels:
CAS:36322-90-4
InChi Code:InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
1.98

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.16

experimental value

-3.24

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

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