Molecule ID: mol13254
SMILES: O=C(O)c1ccc(/C=C/[N+](=O)[O-])cc1
InChI: InChI=1S/C9H7NO4/c11-9(12)8-3-1-7(2-4-8)5-6-10(13)14/h1-6H,(H,11,12)/b6-5+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.94 | Datawarrior | 0 » -1 |
| 3.94 | QSARToolbox | 0 » -1 |