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: | 102 | |
|---|---|---|
| Name: | 1-Hydroxymidazolam | |
| Description: | ||
| Labels: | Serum, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.07 |
experimental value |
| -0.314 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.3242 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID50208175 | US EPA CompTox Dashboard |