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: | 214 | |
|---|---|---|
| Name: | Org34167 | |
| Description: | Systematic name: 1-[2-(1,2-benzoxazol-3-yl)phenyl]but-3-en-1-amine | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H16N2O/c1-2-7-15(18)12-8-3-4-9-13(12)17-14-10-5-6-11-16(14)20-19-17/h2-6,8-11,15H,1,7,18H2 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.00 |
experimental value |
| 0.221 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.2015 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |