Molecule ID: mol7676
SMILES: Cc1nc[nH]n1
InChI: InChI=1S/C3H5N3/c1-3-4-2-5-6-3/h2H,1H3,(H,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.23 | AttenGpKa training set | 1 » 0 |
| 3.28 | IUPAC digitized pKa | 1 » 0 |
| 3.68 | IUPAC digitized pKa | 1 » 0 |
| 10.60 | AttenGpKa training set | 0 » -1 |
| 10.73 | IUPAC digitized pKa | 0 » -1 |