Molecule ID: mol3660
SMILES: Nc1ccncc1N
InChI: InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.49 | IUPAC digitized pKa | 2 » 1 |
| 9.01 | IUPAC digitized pKa | 1 » 0 |
| 9.01 | OCHEM | 1 » 0 |
| 9.06 | Datawarrior | 1 » 0 |
| 9.06 | OCHEM | 1 » 0 |
| 9.08 | QSARToolbox | 1 » 0 |
| 9.10 | QSARToolbox | 1 » 0 |
| 9.14 | IUPAC digitized pKa | 1 » 0 |