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:	227
	Name:	Phenylbutazone
	Description:
	Labels:	Blood, in_vivo
	CAS:
	InChi Code:	InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3

Properties

logBB: Blood-brain distribution

Value	Source or prediction
-0.52	experimental value
0.046	Eq2: Model for drug-like chemicals, in vivo (Training set)
0.0323	Eq5: Model for all chemicals, in vivo and in vitro (Training set)

Links to External Resources

Link	Resource description
DTXSID9021136	US EPA CompTox Dashboard