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:	558
	Name:	Ajmaline
	Description:
	Labels:
	CAS:	4360-12-7
	InChi Code:	InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16?,17-,18+,19+,20+/m0/s1

Properties

logSobs: Aqueous solubility as logS [mol/L]

Value	Source or prediction
-2.82	experimental value
-3.02	Eq.1: General solubility equation (Test set to verify GSE)

Links to External Resources

Link	Resource description
DTXSID6045537	US EPA CompTox Dashboard