Molecule ID: mol14297
SMILES: N#CC(C#N)=NNc1c(Cl)cccc1Cl
InChI: InChI=1S/C9H4Cl2N4/c10-7-2-1-3-8(11)9(7)15-14-6(4-12)5-13/h1-3,15H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.67 | OCHEM | 1 » 0 |
| -0.67 | Datawarrior | 1 » 0 |
| 4.70 | OCHEM | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 4.70 | QSARToolbox | 0 » -1 |
| 4.70 | QSARToolbox | 0 » -1 |
| 4.70 | Datawarrior | 0 » -1 |