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:	262
	Name:	Nifedipine
	Description:
	Labels:
	CAS:	21829-25-4
	InChi Code:	InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

Value	Source or prediction
2.86	experimental value

logSobs: Aqueous solubility as logS [mol/L]

Value	Source or prediction
-4.76	experimental value
-4.39	Eq.1: General solubility equation (Test set to verify GSE)

Links to External Resources

Link	Resource description
DTXSID2025715	US EPA CompTox Dashboard