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: | 171 | |
|---|---|---|
| Name: | Flumazenil | |
| Description: | ||
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.29 |
experimental value |
| -0.151 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.1518 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2023064 | US EPA CompTox Dashboard |