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:590
Name:Primidone
Description:
Labels:
CAS:125-33-7
InChi Code:InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
0.91

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.64

experimental value

-2.94

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

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