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:	229
	Name:	Phenytoin
	Description:
	Labels:	Blood, in_vivo
	CAS:
	InChi Code:	InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)

Properties

logBB: Blood-brain distribution

Value	Source or prediction
-0.04	experimental value
-0.436	Eq2: Model for drug-like chemicals, in vivo (Training set)
-0.4442	Eq5: Model for all chemicals, in vivo and in vitro (Training set)

Links to External Resources

Link	Resource description
DTXSID8020541	US EPA CompTox Dashboard