Molecule ID: mol682
SMILES: O=[N+]([O-])c1ccc(O)cc1C(F)(F)F
InChI: InChI=1S/C7H4F3NO3/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14/h1-3,12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.07 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 6.07 | OCHEM | 0 » -1 |
| 6.07 | OCHEM | 0 » -1 |
| 6.07 | Hunt | 0 » -1 |
| 6.07 | OCHEM | 0 » -1 |
| 6.07 | OCHEM | 0 » -1 |
| 6.07 | OCHEM | 0 » -1 |
| 6.07 | QSARToolbox | 0 » -1 |
| 6.07 | QSARToolbox | 0 » -1 |
| 6.38 | AttenGpKa training set | 0 » -1 |