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:	255
	Name:	Estradiol
	Description:
	Labels:
	CAS:	50-28-2
	InChi Code:	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1

Properties

MlogP: Measured octanol/water partition coefficient as logP

Value	Source or prediction
3.86	experimental value

logSobs: Aqueous solubility as logS [mol/L]

Value	Source or prediction
-4.85	experimental value
-4.76	Eq.1: General solubility equation (Test set to verify GSE)

Links to External Resources

Link	Resource description
DTXSID0020573	US EPA CompTox Dashboard