Molecule ID: mol15576
SMILES: NNC(=O)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChI: InChI=1S/C6H3F9N2O2/c7-2(8,1(18)17-16)5(13)3(9,10)4(11,12)6(14,15)19-5/h16H2,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.26 | Datawarrior | 0 » -1 |
| 8.26 | AttenGpKa training set | 0 » -1 |
| 8.26 | OCHEM | 0 » -1 |
| 8.26 | QSARToolbox | 0 » -1 |