Molecule ID: mol21733
SMILES: O=C(O)c1cc(F)c(F)c(F)c1
InChI: InChI=1S/C7H3F3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.46 | AttenGpKa training set | 0 » -1 |
| 3.54 | QSARToolbox | 0 » -1 |
| 3.54 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |