Molecule ID: mol22494
SMILES: O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI: InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.57 | OCHEM | 0 » -1 |
| 0.89 | AttenGpKa training set | 0 » -1 |