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: | 191 | |
|---|---|---|
| Name: | Lorazepam | |
| Description: | ||
| Labels: | Serum, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.41 |
experimental value |
| 0.273 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.2521 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7023225 | US EPA CompTox Dashboard |