Molecule ID: mol4096
SMILES: Cc1cc(N)ncn1
InChI: InChI=1S/C5H7N3/c1-4-2-5(6)8-3-7-4/h2-3H,1H3,(H2,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.50 | IUPAC digitized pKa | 1 » 0 |
| 6.16 | IUPAC digitized pKa | 1 » 0 |
| 6.16 | OCHEM | 1 » 0 |
| 6.19 | AttenGpKa training set | 1 » 0 |
| 6.25 | Datawarrior | 1 » 0 |
| 6.25 | OCHEM | 1 » 0 |