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: | 218 | |
|---|---|---|
| Name: | Paracetamol | |
| Description: | Alternative name from original table: (Acetaminophen or +ol) | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.34 |
experimental value |
| -0.711 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.7005 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020006 | US EPA CompTox Dashboard |