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:	163
	Name:	Diphenhydramine
	Description:
	Labels:	Plasma, in_vivo
	CAS:
	InChi Code:	InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3

Properties

logBB: Blood-brain distribution

Value	Source or prediction
1.26	experimental value
0.749	Eq2: Model for drug-like chemicals, in vivo (Training set)
0.7228	Eq5: Model for all chemicals, in vivo and in vitro (Training set)

Links to External Resources

Link	Resource description
DTXSID4022949	US EPA CompTox Dashboard