Oja, M.; Maran, U. Quantitative structure-permeability relationships at various pH values for acidic and basic drugs and drug-like compounds. SAR QSAR Environ. Res. 2015, 26, 701-719.
Compound
| ID: | A7 | |
|---|---|---|
| Name: | Cinoxacin | |
| Description: | ||
| Labels: | Acid | |
| CAS: | 28657-80-9 | |
| InChi Code: | InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17) |
Properties
logPeff_pH3: Logarithmic effective membrane permeability at pH 3 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -6.71 |
experimental value |
| -6.73 |
Eq.4: QSAR model for membrane permeability of acidic compounds at pH 3 (Training set) |
logPeff_pH5: Logarithmic effective membrane permeability at pH 5 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -6.92 |
experimental value |
| -6.65 |
Eq.5: QSAR model for membrane permeability of acidic compounds at pH 5 (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8022822 | US EPA CompTox Dashboard |