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: | 280 | |
|---|---|---|
| Name: | Tertbutylchlorambucil | |
| Description: | Systematic name: 4-[bis(2-chloroethyl)amino]-benzenebutanoic acid 1,1-dimethylethyl ester | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H27Cl2NO2/c1-18(2,3)23-17(22)6-4-5-15-7-9-16(10-8-15)21(13-11-19)14-12-20/h7-10H,4-6,11-14H2,1-3H3 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 1.00 |
experimental value |
| 1.079 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 1.0591 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |