Molecule ID: mol10166
SMILES: COc1ccc(O)cc1[N+](=O)[O-]
InChI: InChI=1S/C7H7NO4/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.68 | IUPAC digitized pKa | 0 » -1 |
| 8.68 | IUPAC digitized pKa | 0 » -1 |
| 8.68 | Datawarrior | 0 » -1 |
| 8.68 | OCHEM | 0 » -1 |
| 8.68 | AttenGpKa training set | 0 » -1 |
| 8.68 | OCHEM | 0 » -1 |
| 8.68 | QSARToolbox | 0 » -1 |
| 8.68 | QSARToolbox | 0 » -1 |
| 8.80 | IUPAC digitized pKa | 0 » -1 |