Abraham, M. H.; Ibrahim, A.; Zhao, Y.; Acree, W. E. A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. J. Pharm. Sci. 2006, 95, 10, 2091–2100.

Compound

	ID:	100
	Name:	16alpha-Fluoroestradiol
	Description:
	Labels:	Blood, in_vivo
	CAS:
	InChi Code:	InChI=1S/C18H23FO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3

Properties

logBB: Blood-brain distribution

Value	Source or prediction
-0.30	experimental value
-0.417	Eq2: Model for drug-like chemicals, in vivo (Training set)
-0.4257	Eq5: Model for all chemicals, in vivo and in vitro (Training set)