Molecule ID: mol18839
SMILES: O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Br)cc1
InChI: InChI=1S/C12H9BrClNO2S/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 |
|---|---|---|
| 8.24 | OCHEM | 0 » -1 |
| 8.24 | OCHEM | 0 » -1 |
| 8.24 | Baltruschat ChEMBL | 0 » -1 |