Molecule ID: mol4215
SMILES: CNc1ccncn1
InChI: InChI=1S/C5H7N3/c1-6-5-2-3-7-4-8-5/h2-4H,1H3,(H,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.09 | IUPAC digitized pKa | 1 » 0 |
| 6.09 | AttenGpKa training set | 1 » 0 |
| 6.12 | QSARToolbox | 1 » 0 |
| 6.12 | OCHEM | 1 » 0 |
| 6.12 | Datawarrior | 1 » 0 |