Molecule ID: mol13217
SMILES: Cc1ccc(NN=C(C#N)C#N)cc1
InChI: InChI=1S/C10H8N4/c1-8-2-4-9(5-3-8)13-14-10(6-11)7-12/h2-5,13H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.83 | Datawarrior | 1 » 0 |
| -0.83 | OCHEM | 1 » 0 |
| 6.75 | Datawarrior | 0 » -1 |
| 6.75 | OCHEM | 0 » -1 |
| 6.75 | OCHEM | 0 » -1 |
| 6.75 | QSARToolbox | 0 » -1 |
| 6.75 | QSARToolbox | 0 » -1 |