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: | 178 | |
|---|---|---|
| Name: | Hexobarbital | |
| Description: | ||
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.10 |
experimental value |
| 0.143 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.1431 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9023122 | US EPA CompTox Dashboard |