Molecule ID: mol14268
SMILES: Cc1cc(O)ccc1[N+](=O)[O-]
InChI: InChI=1S/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.65 | Datawarrior | 0 » -1 |
| 7.65 | AttenGpKa training set | 0 » -1 |
| 7.65 | QSARToolbox | 0 » -1 |
| 7.65 | OCHEM | 0 » -1 |