Molecule ID: mol13253
SMILES: O=C(O)c1cccc(/C=C/[N+](=O)[O-])c1
InChI: InChI=1S/C9H7NO4/c11-9(12)8-3-1-2-7(6-8)4-5-10(13)14/h1-6H,(H,11,12)/b5-4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | Datawarrior | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |