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: | 98 | |
|---|---|---|
| Name: | 1-(3-Fluoropropyl)-2-nitroimidazole | |
| Description: | Alternative name from original table: (FPN) | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C6H8FN3O2/c7-2-1-4-9-5-3-8-6(9)10(11)12/h3,5H,1-2,4H2 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.24 |
experimental value |
| -0.062 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.0639 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |