Molecule ID: mol36712
SMILES: O=C(O)c1cccc(CS(=O)(=O)C(F)(F)F)c1
InChI: InChI=1S/C9H7F3O4S/c10-9(11,12)17(15,16)5-6-2-1-3-7(4-6)8(13)14/h1-4H,5H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.26 | QSARToolbox | 0 » -1 |
| 5.26 | QSARToolbox | 0 » -1 |