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: | 293 | |
|---|---|---|
| Name: | Triazolam | |
| Description: | Name and SMILES did not match. SMILES changed (hint: missing aromatic bonds). | |
| Labels: | Serum, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.57 |
experimental value |
| 0.155 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.1294 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6046763 | US EPA CompTox Dashboard |