Molecule ID: mol5818
SMILES: NNC(N)=O
InChI: InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.90 | IUPAC digitized pKa | 1 » 0 |
| 3.52 | IUPAC digitized pKa | 1 » 0 |
| 3.65 | IUPAC digitized pKa | 1 » 0 |
| 3.65 | IUPAC digitized pKa | 1 » 0 |
| 3.76 | AttenGpKa training set | 1 » 0 |
| 4.26 | IUPAC digitized pKa | 1 » 0 |
| 10.54 | QSARToolbox | 0 » -1 |
| 10.80 | QSARToolbox | 0 » -1 |