Molecule ID: mol23394
SMILES: O=C(O)/C=C/c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)/b6-3+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.05 | OCHEM | 0 » -1 |
| 4.05 | OCHEM | 0 » -1 |
| 4.05 | AttenGpKa training set | 0 » -1 |