Molecule ID: mol1774
SMILES: O=C(O)C[N+](=O)[O-]
InChI: InChI=1S/C2H3NO4/c4-2(5)1-3(6)7/h1H2,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.48 | IUPAC digitized pKa | 0 » -1 |
| 1.48 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 1.48 | OCHEM | 0 » -1 |
| 1.48 | Hunt | 0 » -1 |
| 1.48 | OCHEM | 0 » -1 |
| 1.48 | QSARToolbox | 0 » -1 |
| 1.48 | QSARToolbox | 0 » -1 |
| 1.63 | QSARToolbox | 0 » -1 |
| 1.63 | QSARToolbox | 0 » -1 |
| 1.63 | Datawarrior | 0 » -1 |
| 1.63 | OCHEM | 0 » -1 |
| 1.63 | AttenGpKa training set | 0 » -1 |
| 1.68 | QSARToolbox | 0 » -1 |
| 1.68 | OCHEM | 0 » -1 |
| 1.68 | OCHEM | 0 » -1 |
| 1.68 | Baltruschat ChEMBL | 0 » -1 |
| 8.90 | IUPAC digitized pKa | -1 » -2 |
| 8.90 | Datawarrior | -1 » -2 |
| 8.90 | AttenGpKa training set | -1 » -2 |