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:437
Name:Lorazepam
Description:
Labels:
CAS:846-49-1
InChi Code:InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.39

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.6

experimental value

-3.28

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

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