Molecule ID: mol669
SMILES: O=CNO
InChI: InChI=1S/CH3NO2/c3-1-2-4/h1,4H,(H,2,3)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.65 | IUPAC digitized pKa | 0 » -1 |
| 8.65 | OCHEM | 0 » -1 |
| 8.65 | Hunt | 0 » -1 |
| 8.65 | AttenGpKa training set | 0 » -1 |
| 8.67 | QSARToolbox | 0 » -1 |
| 8.77 | Datawarrior | 0 » -1 |
| 8.77 | OCHEM | 0 » -1 |
| 8.78 | QSARToolbox | 0 » -1 |