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: | 203 | |
|---|---|---|
| Name: | Fluoromisonidazole | |
| Description: | Name and SMILES did not match. SMILES changed (hint: excess of -C-O-). Same as compound 174. | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C6H8FN3O3/c7-3-5(11)4-9-2-1-8-6(9)10(12)13/h1-2,5,11H,3-4H2 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.01 |
experimental value |
| -0.062 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.0646 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |