Molecule ID: mol4097
SMILES: Cc1ncncc1N
InChI: InChI=1S/C5H7N3/c1-4-5(6)2-7-3-8-4/h2-3H,6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.06 | IUPAC digitized pKa | 1 » 0 |
| 3.06 | OCHEM | 1 » 0 |
| 3.15 | Datawarrior | 1 » 0 |
| 3.15 | AttenGpKa training set | 1 » 0 |
| 3.15 | OCHEM | 1 » 0 |