Molecule ID: mol5786
SMILES: N=C(N)N
InChI: InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.50 | Baltruschat ChEMBL | 1 » 0 |
| 12.56 | QSARToolbox | 0 » -1 |
| 12.60 | Baltruschat ChEMBL | 0 » -1 |
| 13.10 | Datawarrior | 0 » -1 |
| 13.10 | OCHEM | 0 » -1 |
| 13.50 | Baltruschat ChEMBL | 0 » -1 |
| 13.59 | IUPAC digitized pKa | 0 » -1 |
| 13.60 | IUPAC digitized pKa | 0 » -1 |
| 13.60 | Baltruschat ChEMBL | 0 » -1 |
| 13.65 | QSARToolbox | 0 » -1 |
| 13.71 | AttenGpKa training set | 0 » -1 |
| 13.90 | OCHEM | 0 » -1 |
| 13.90 | OCHEM | 0 » -1 |