Molecule ID: mol13218
SMILES: Cc1ccccc1NN=C(C#N)C#N
InChI: InChI=1S/C10H8N4/c1-8-4-2-3-5-10(8)14-13-9(6-11)7-12/h2-5,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.84 | Datawarrior | 1 » 0 |
| -0.84 | OCHEM | 1 » 0 |
| 6.90 | Datawarrior | 0 » -1 |
| 6.90 | QSARToolbox | 0 » -1 |
| 6.90 | OCHEM | 0 » -1 |