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:	172
	Name:	Flunitrazepam
	Description:
	Labels:	Serum, in_vivo
	CAS:
	InChi Code:	InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3

Properties

logBB: Blood-brain distribution

Value	Source or prediction
0.06	experimental value
0.065	Eq2: Model for drug-like chemicals, in vivo (Training set)
0.0504	Eq5: Model for all chemicals, in vivo and in vitro (Training set)

Links to External Resources

Link	Resource description
DTXSID7023065	US EPA CompTox Dashboard