Molecule ID: mol15417
SMILES: NNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChI: InChI=1S/C7H3F11N2O/c8-2(1(21)20-19)3(9,10)5(13,14)7(17,18)6(15,16)4(2,11)12/h19H2,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.14 | Datawarrior | 0 » -1 |
| 9.14 | AttenGpKa training set | 0 » -1 |
| 9.14 | OCHEM | 0 » -1 |
| 9.14 | QSARToolbox | 0 » -1 |