Molecule ID: mol6908
SMILES: Cc1cn[nH]c1
InChI: InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.09 | IUPAC digitized pKa | 1 » 0 |
| 3.09 | AttenGpKa training set | 1 » 0 |
| 14.66 | AttenGpKa training set | 0 » -1 |