Molecule ID: mol9217
SMILES: CCOC(=O)C[N+](=O)[O-]
InChI: InChI=1S/C4H7NO4/c1-2-9-4(6)3-5(7)8/h2-3H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.72 | AttenGpKa training set | 0 » -1 |
| 5.75 | IUPAC digitized pKa | 0 » -1 |
| 5.75 | QSARToolbox | 0 » -1 |
| 5.78 | QSARToolbox | 0 » -1 |
| 5.81 | IUPAC digitized pKa | 0 » -1 |
| 5.82 | Datawarrior | 0 » -1 |
| 5.82 | QSARToolbox | 0 » -1 |
| 5.82 | QSARToolbox | 0 » -1 |
| 5.82 | OCHEM | 0 » -1 |
| 5.85 | OCHEM | 0 » -1 |
| 5.85 | OCHEM | 0 » -1 |
| 6.00 | QSARToolbox | 0 » -1 |