Molecule ID: mol13383
SMILES: O=C1NC(=O)c2c1cccc2[N+](=O)[O-]
InChI: InChI=1S/C8H4N2O4/c11-7-4-2-1-3-5(10(13)14)6(4)8(12)9-7/h1-3H,(H,9,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.54 | AttenGpKa training set | 0 » -1 |
| 8.80 | Datawarrior | 0 » -1 |
| 8.80 | OCHEM | 0 » -1 |