Molecule ID: mol10163
SMILES: COc1cccc([N+](=O)[O-])c1O
InChI: InChI=1S/C7H7NO4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.74 | QSARToolbox | 0 » -1 |
| 6.74 | QSARToolbox | 0 » -1 |
| 6.74 | OCHEM | 0 » -1 |
| 6.74 | Datawarrior | 0 » -1 |
| 6.84 | IUPAC digitized pKa | 0 » -1 |
| 6.84 | OCHEM | 0 » -1 |
| 6.84 | AttenGpKa training set | 0 » -1 |
| 6.84 | QSARToolbox | 0 » -1 |