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:	113
	Name:	5-Octyl-5-ethyl barbituric acid
	Description:
	Labels:	Plasma, in_vivo
	CAS:
	InChi Code:	InChI=1S/C14H24N2O3/c1-3-5-6-7-8-9-10-14(4-2)11(17)15-13(19)16-12(14)18/h3-10H2,1-2H3,(H2,15,16,17,18,19)

Properties

logBB: Blood-brain distribution

Value	Source or prediction
0.24	experimental value
0.390	Eq2: Model for drug-like chemicals, in vivo (Training set)
0.3991	Eq5: Model for all chemicals, in vivo and in vitro (Training set)