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:	179
	Name:	Hexobarbital
	Description:
	Labels:	Serum, in_vivo
	CAS:
	InChi Code:	InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)

Properties

logBB: Blood-brain distribution

Value	Source or prediction
0.05	experimental value
0.143	Eq2: Model for drug-like chemicals, in vivo (Training set)
0.1431	Eq5: Model for all chemicals, in vivo and in vitro (Training set)

Links to External Resources

Link	Resource description
DTXSID9023122	US EPA CompTox Dashboard