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: | 121 | |
|---|---|---|
| Name: | alpha-(4-Pyridyl-1-oxide)-N-tert-butylnitrone | |
| Description: | ||
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C10H14N2O2/c1-10(2,3)12(14)8-9-4-6-11(13)7-5-9/h4-8H,1-3H3/b12-8+ |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.38 |
experimental value |
| -0.052 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.0318 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID60217036 | US EPA CompTox Dashboard |