Molecule ID: mol4686
SMILES: c1cc2[nH]cnc2cn1
InChI: InChI=1S/C6H5N3/c1-2-7-3-6-5(1)8-4-9-6/h1-4H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.10 | OCHEM | 1 » 0 |
| 6.10 | Datawarrior | 1 » 0 |
| 6.10 | AttenGpKa training set | 1 » 0 |
| 10.88 | Datawarrior | 0 » -1 |
| 10.88 | OCHEM | 0 » -1 |