Molecule ID: mol13256
SMILES: O=C(O)/C=C/c1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)/b5-4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.08 | QSARToolbox | 0 » -1 |
| 4.08 | Datawarrior | 0 » -1 |
| 4.12 | OCHEM | 0 » -1 |
| 4.12 | OCHEM | 0 » -1 |
| 4.12 | AttenGpKa training set | 0 » -1 |