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: | 177 | |
|---|---|---|
| Name: | HEPP | |
| Description: | Alternative name from original table: (beta-Ethyl-beta-hydroxybenzenepropanamide) | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C11H15NO2/c1-2-11(14,8-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.04 |
experimental value |
| -0.162 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.1593 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |