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:296
Name:Flurbiprofen
Description:
Labels:
CAS:5104-49-4
InChi Code:InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
4.16

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.49

experimental value

-4.11

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

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