Molecule ID: mol4017
SMILES: Nc1ccnnc1
InChI: InChI=1S/C4H5N3/c5-4-1-2-6-7-3-4/h1-3H,(H2,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.65 | IUPAC digitized pKa | 1 » 0 |
| 6.65 | OCHEM | 1 » 0 |
| 6.65 | QSARToolbox | 1 » 0 |
| 6.69 | Datawarrior | 1 » 0 |
| 6.69 | QSARToolbox | 1 » 0 |
| 6.69 | OCHEM | 1 » 0 |