Molecule ID: mol5822
SMILES: NC(N)=O
InChI: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.10 | IUPAC digitized pKa | 1 » 0 |
| 0.18 | IUPAC digitized pKa | 1 » 0 |
| 0.18 | IUPAC digitized pKa | 1 » 0 |
| 0.30 | AttenGpKa training set | 1 » 0 |
| 0.40 | Datawarrior | 1 » 0 |
| 0.40 | OCHEM | 1 » 0 |
| 0.57 | QSARToolbox | 1 » 0 |
| 13.76 | QSARToolbox | 0 » -1 |
| 13.83 | QSARToolbox | 0 » -1 |
| 13.94 | QSARToolbox | 0 » -1 |