Molecule ID: mol13232
SMILES: CN(O)C(=O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C8H8N2O4/c1-9(12)8(11)6-2-4-7(5-3-6)10(13)14/h2-5,12H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.92 | Datawarrior | 0 » -1 |
| 7.92 | OCHEM | 0 » -1 |
| 7.94 | QSARToolbox | 0 » -1 |
| 7.94 | QSARToolbox | 0 » -1 |
| 7.94 | QSARToolbox | 0 » -1 |
| 8.01 | AttenGpKa training set | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |