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: | 213 | |
|---|---|---|
| Name: | Org32104 | |
| Description: | Systematic name: 1,3,4,13b-Tetrahydro-10-methyl-dibenz[2,3:6,7]oxepino[4,5-c]pyridin-4a(2H)-ol | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H19NO2/c1-12-5-4-6-13-15-11-19-10-9-18(15,20)14-7-2-3-8-16(14)21-17(12)13/h2-8,15,19-20H,9-11H2,1H3 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.52 |
experimental value |
| 0.178 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.1520 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |