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: | 228 | |
|---|---|---|
| Name: | Phenyl-N-tert-butylnitrone | |
| Description: | ||
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9+ |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.05 |
experimental value |
| 0.720 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.6984 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |