Molecule ID: mol14860
SMILES: N#CC(C#N)=NNc1ccc(OC(F)(F)F)cc1
InChI: InChI=1S/C10H5F3N4O/c11-10(12,13)18-9-3-1-7(2-4-9)16-17-8(5-14)6-15/h1-4,16H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.78 | Datawarrior | 1 » 0 |
| -0.78 | OCHEM | 1 » 0 |
| 5.80 | AttenGpKa training set | 0 » -1 |
| 6.00 | Datawarrior | 0 » -1 |
| 6.00 | OCHEM | 0 » -1 |
| 6.00 | QSARToolbox | 0 » -1 |
| 6.00 | QSARToolbox | 0 » -1 |
| 6.20 | OCHEM | 0 » -1 |