Oja, M.; Maran, U. Quantitative structure-permeability relationships at various pH values for neutral and amphoteric drugs and drug-like compounds. SAR QSAR Environ. Res. 2016, 27, 813-832.
Compound
| ID: | N3 | |
|---|---|---|
| Name: | Carbamazepine | |
| Description: | ||
| Labels: | Neutral | |
| CAS: | 298-46-4 | |
| InChi Code: | InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) |
Properties
LogPeff_average: Average logarithmic effective membrane permeability for pH range 3 to 9 of neutral compounds [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -5.15 |
experimental value |
| -5.37 |
Eq.9: QSAR model for average membrane permeability of neutral compounds (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4022731 | US EPA CompTox Dashboard |