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:741
Name:Lidocaine
Description:
Labels:
CAS:137-58-6
InChi Code:InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.26

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.76

experimental value

-1.87

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

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