Molecule ID: mol14347
SMILES: N#CC(C#N)Cc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C10H7N3O2/c11-6-9(7-12)5-8-1-3-10(4-2-8)13(14)15/h1-4,9H,5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.87 | QSARToolbox | 0 » -1 |
| 10.87 | Datawarrior | 0 » -1 |
| 10.87 | OCHEM | 0 » -1 |
| 10.90 | QSARToolbox | 0 » -1 |