Molecule ID: mol23035
SMILES: O=C(O)c1c(F)c(F)c(F)c(F)c1C(=O)O
InChI: InChI=1S/C8H2F4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.71 | AttenGpKa training set | 0 » -1 |
| 3.61 | AttenGpKa training set | -1 » -2 |