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: | 101 | |
|---|---|---|
| Name: | 1-Hexyl-4-(4-iodophenyl)piperazine | |
| Description: | ||
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C16H25IN2/c1-2-3-4-5-10-18-11-13-19(14-12-18)16-8-6-15(17)7-9-16/h6-9H,2-5,10-14H2,1H3 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 1.01 |
experimental value |
| 0.970 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.9312 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |