Molecule ID: mol7674
SMILES: CCc1nc[nH]n1
InChI: InChI=1S/C4H7N3/c1-2-4-5-3-6-7-4/h3H,2H2,1H3,(H,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.15 | AttenGpKa training set | 1 » 0 |
| 3.20 | IUPAC digitized pKa | 1 » 0 |
| 10.56 | AttenGpKa training set | 0 » -1 |
| 10.69 | IUPAC digitized pKa | 0 » -1 |