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:	505
	Name:	Metoclopramide
	Description:
	Labels:
	CAS:	364-62-5
	InChi Code:	InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)

Properties

MlogP: Measured octanol/water partition coefficient as logP

Value	Source or prediction
2.62	experimental value

logSobs: Aqueous solubility as logS [mol/L]

Value	Source or prediction
-3.18	experimental value
-2.92	Eq.1: General solubility equation (Test set to verify GSE)

Links to External Resources

Link	Resource description
DTXSID6045169	US EPA CompTox Dashboard