Molecule ID: mol14598
SMILES: O=[N+]([O-])c1ccc2[nH]c(C(F)(F)F)nc2c1
InChI: InChI=1S/C8H4F3N3O2/c9-8(10,11)7-12-5-2-1-4(14(15)16)3-6(5)13-7/h1-3H,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.18 | Datawarrior | 1 » 0 |
| 0.18 | QSARToolbox | 1 » 0 |
| 0.18 | OCHEM | 1 » 0 |
| 6.70 | OCHEM | 0 » -1 |