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:	161
	Name:	Diazepam
	Description:
	Labels:	Serum, in_vivo
	CAS:
	InChi Code:	InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3

Properties

logBB: Blood-brain distribution

Value	Source or prediction
0.52	experimental value
0.515	Eq2: Model for drug-like chemicals, in vivo (Training set)
0.4868	Eq5: Model for all chemicals, in vivo and in vitro (Training set)

Links to External Resources

Link	Resource description
DTXSID4020406	US EPA CompTox Dashboard