Molecule ID: mol9144
SMILES: O=c1[nH]cc([N+](=O)[O-])c(=O)[nH]1
InChI: InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.42 | Datawarrior | 0 » -1 |
| 5.43 | AttenGpKa training set | 0 » -1 |
| 5.55 | IUPAC digitized pKa | 0 » -1 |
| 5.55 | AttenGpKa training set | 0 » -1 |
| 5.56 | IUPAC digitized pKa | 0 » -1 |
| 11.30 | IUPAC digitized pKa | -1 » -2 |
| 11.30 | AttenGpKa training set | -1 » -2 |
| 11.50 | Datawarrior | -1 » -2 |
| 11.50 | OCHEM | -1 » -2 |