Molecule ID: mol13219
SMILES: N#CC(C#N)=NNc1ccccc1Cl
InChI: InChI=1S/C9H5ClN4/c10-8-3-1-2-4-9(8)14-13-7(5-11)6-12/h1-4,14H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.77 | Datawarrior | 1 » 0 |
| -0.77 | OCHEM | 1 » 0 |
| 5.83 | OCHEM | 0 » -1 |
| 5.83 | QSARToolbox | 0 » -1 |
| 5.84 | Datawarrior | 0 » -1 |
| 5.84 | OCHEM | 0 » -1 |
| 5.85 | QSARToolbox | 0 » -1 |