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:	157
	Name:	Desmethylclobazam
	Description:
	Labels:	Serum, in_vivo
	CAS:
	InChi Code:	InChI=1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)

Properties

logBB: Blood-brain distribution

Value	Source or prediction
0.36	experimental value
-0.060	Eq2: Model for drug-like chemicals, in vivo (Training set)
-0.0860	Eq5: Model for all chemicals, in vivo and in vitro (Training set)

Links to External Resources

Link	Resource description
DTXSID40176859	US EPA CompTox Dashboard