Molecule ID: mol6881
SMILES: Cc1c[nH]nc1C
InChI: InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3H,1-2H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.91 | IUPAC digitized pKa | 1 » 0 |
| 3.91 | AttenGpKa training set | 1 » 0 |
| 3.91 | AttenGpKa training set | 1 » 0 |