Molecule ID: mol18845
SMILES: O=S(=O)(Nc1ccc(F)cc1)c1ccc(Cl)cc1
InChI: InChI=1S/C12H9ClFNO2S/c13-9-1-7-12(8-2-9)18(16,17)15-11-5-3-10(14)4-6-11/h1-8,15H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.41 | OCHEM | 0 » -1 |
| 8.41 | OCHEM | 0 » -1 |
| 8.41 | Baltruschat ChEMBL | 0 » -1 |