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: | 106 | |
|---|---|---|
| Name: | 4-Iodo-alpha,alpha'-dipiperidino-m-xylene | |
| Description: | ||
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H27IN2/c19-18-8-7-16(14-20-9-3-1-4-10-20)13-17(18)15-21-11-5-2-6-12-21/h7-8,13H,1-6,9-12,14-15H2 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.98 |
experimental value |
| 0.938 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.8990 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |