Molecule ID: mol14295
SMILES: Cc1ccc(C)c(NN=C(C#N)C#N)c1
InChI: InChI=1S/C11H10N4/c1-8-3-4-9(2)11(5-8)15-14-10(6-12)7-13/h3-5,15H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.84 | Datawarrior | 1 » 0 |
| -0.84 | OCHEM | 1 » 0 |
| 6.60 | QSARToolbox | 0 » -1 |
| 6.75 | Datawarrior | 0 » -1 |
| 6.75 | OCHEM | 0 » -1 |
| 6.90 | QSARToolbox | 0 » -1 |
| 6.90 | OCHEM | 0 » -1 |