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: | N9 | |
|---|---|---|
| Name: | Nifedipine | |
| Description: | ||
| Labels: | Neutral | |
| CAS: | 21829-25-4 | |
| InChi Code: | InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 |
Properties
LogPeff_average: Average logarithmic effective membrane permeability for pH range 3 to 9 of neutral compounds [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.14 |
experimental value |
| -4.2 |
Eq.9: QSAR model for average membrane permeability of neutral compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2025715 | US EPA CompTox Dashboard |