Molecule ID: mol13470
SMILES: On1nnc2ccc(C(F)(F)F)cc21
InChI: InChI=1S/C7H4F3N3O/c8-7(9,10)4-1-2-5-6(3-4)13(14)12-11-5/h1-3,14H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.97 | Datawarrior | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | AttenGpKa training set | 0 » -1 |
| 3.97 | QSARToolbox | 0 » -1 |