Molecule ID: mol15264
SMILES: Cc1ccc(NN=C(C#N)C#N)c([N+](=O)[O-])c1
InChI: InChI=1S/C10H7N5O2/c1-7-2-3-9(10(4-7)15(16)17)14-13-8(5-11)6-12/h2-4,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.78 | Datawarrior | 1 » 0 |
| -0.78 | OCHEM | 1 » 0 |
| 6.00 | Datawarrior | 0 » -1 |
| 6.00 | OCHEM | 0 » -1 |
| 6.00 | QSARToolbox | 0 » -1 |
| 6.00 | QSARToolbox | 0 » -1 |