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: | 99 | |
|---|---|---|
| Name: | 1-(8-Fluorooctyl)-2-nitroimidazole | |
| Description: | Alternative name from original table: (FON) | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C11H18FN3O2/c12-7-5-3-1-2-4-6-9-14-10-8-13-11(14)15(16)17/h8,10H,1-7,9H2 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.17 |
experimental value |
| 0.395 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.3894 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |