Molecule ID: mol14434
SMILES: N#CC(C#N)=NNc1ccccc1C(=O)O
InChI: InChI=1S/C10H6N4O2/c11-5-7(6-12)13-14-9-4-2-1-3-8(9)10(15)16/h1-4,14H,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.96 | Datawarrior | 1 » 0 |
| -0.96 | OCHEM | 1 » 0 |
| 6.70 | OCHEM | -1 » -2 |
| 6.70 | QSARToolbox | -1 » -2 |
| 6.70 | QSARToolbox | -1 » -2 |
| 6.70 | Datawarrior | -1 » -2 |