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: | A28 | |
|---|---|---|
| Name: | Salicylic acid | |
| Description: | ||
| Labels: | Acid | |
| CAS: | 69-72-7 | |
| InChi Code: | InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) |
Properties
logPeff_pH3: Logarithmic effective membrane permeability at pH 3 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.87 |
experimental value |
| -5.59 |
Eq.4: QSAR model for membrane permeability of acidic compounds at pH 3 (Validation set) |
logPeff_pH5: Logarithmic effective membrane permeability at pH 5 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -5.53 |
experimental value |
| -5.64 |
Eq.5: QSAR model for membrane permeability of acidic compounds at pH 5 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7026368 | US EPA CompTox Dashboard |