Molecule ID: mol14432
SMILES: N#CC(C#N)=NNc1ccc(CCCl)cc1
InChI: InChI=1S/C11H9ClN4/c12-6-5-9-1-3-10(4-2-9)15-16-11(7-13)8-14/h1-4,15H,5-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.81 | Datawarrior | 1 » 0 |
| -0.81 | OCHEM | 1 » 0 |
| 6.50 | Datawarrior | 0 » -1 |
| 6.50 | OCHEM | 0 » -1 |
| 6.50 | OCHEM | 0 » -1 |
| 6.50 | QSARToolbox | 0 » -1 |