Molecule ID: mol11286
SMILES: O=C(CC(=O)C(F)(F)F)c1ccccc1
InChI: InChI=1S/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5H,6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.30 | IUPAC digitized pKa | 0 » -1 |
| 6.30 | Datawarrior | 0 » -1 |
| 6.30 | OCHEM | 0 » -1 |
| 6.35 | OCHEM | 0 » -1 |
| 6.35 | OCHEM | 0 » -1 |
| 6.55 | AttenGpKa training set | 0 » -1 |