Molecule ID: mol14296
SMILES: Cc1cccc(C)c1NN=C(C#N)C#N
InChI: InChI=1S/C11H10N4/c1-8-4-3-5-9(2)11(8)15-14-10(6-12)7-13/h3-5,15H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.82 | Datawarrior | 1 » 0 |
| -0.82 | OCHEM | 1 » 0 |
| 6.60 | OCHEM | 0 » -1 |
| 6.60 | OCHEM | 0 » -1 |
| 6.60 | QSARToolbox | 0 » -1 |
| 6.60 | Datawarrior | 0 » -1 |