Molecule ID: mol10736
SMILES: O=[N+]([O-])c1cccc(C(O)C(F)(F)F)c1
InChI: InChI=1S/C8H6F3NO3/c9-8(10,11)7(13)5-2-1-3-6(4-5)12(14)15/h1-4,7,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.20 | QSARToolbox | 0 » -1 |
| 11.23 | QSARToolbox | 0 » -1 |
| 11.23 | IUPAC digitized pKa | 0 » -1 |
| 11.23 | OCHEM | 0 » -1 |
| 11.23 | AttenGpKa training set | 0 » -1 |