Molecule ID: mol6378
SMILES: CNc1cnccc1N
InChI: InChI=1S/C6H9N3/c1-8-6-4-9-3-2-5(6)7/h2-4,8H,1H3,(H2,7,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.12 | IUPAC digitized pKa | 2 » 1 |
| 9.14 | Datawarrior | 1 » 0 |
| 9.14 | OCHEM | 1 » 0 |
| 9.37 | IUPAC digitized pKa | 1 » 0 |