Molecule ID: mol14475
SMILES: N#CC(C#N)=NNc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C9H5N5O2/c10-5-8(6-11)13-12-7-1-3-9(4-2-7)14(15)16/h1-4,12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.50 | Datawarrior | 0 » -1 |
| 5.50 | OCHEM | 0 » -1 |
| 5.50 | QSARToolbox | 0 » -1 |