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:	234
	Name:	PK-11195
	Description:
	Labels:	Plasma, in_vivo
	CAS:
	InChi Code:	InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3

Properties

logBB: Blood-brain distribution

Value	Source or prediction
0.48	experimental value
0.478	Eq2: Model for drug-like chemicals, in vivo (Training set)
0.4377	Eq5: Model for all chemicals, in vivo and in vitro (Training set)