Molecule ID: mol13384
SMILES: O=C1NC(=O)c2cc([N+](=O)[O-])ccc21
InChI: InChI=1S/C8H4N2O4/c11-7-5-2-1-4(10(13)14)3-6(5)8(12)9-7/h1-3H,(H,9,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.62 | AttenGpKa training set | 0 » -1 |
| 8.68 | Datawarrior | 0 » -1 |
| 8.68 | OCHEM | 0 » -1 |