10967/188 - QDB Compounds

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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:309
Name:Haloperidol
Description:
Labels:
CAS:52-86-8
InChi Code:InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
4.28

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.43

experimental value

-4.58

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

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