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: | 113 | |
|---|---|---|
| Name: | 5-Octyl-5-ethyl barbituric acid | |
| Description: | ||
| Labels: | Plasma, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C14H24N2O3/c1-3-5-6-7-8-9-10-14(4-2)11(17)15-13(19)16-12(14)18/h3-10H2,1-2H3,(H2,15,16,17,18,19) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.24 |
experimental value |
| 0.390 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.3991 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |