Molecule ID: mol14952
SMILES: O=S(=O)(NCc1ccccc1)c1ccc(Br)cc1
InChI: InChI=1S/C13H12BrNO2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.71 | Datawarrior | 0 » -1 |
| 10.71 | OCHEM | 0 » -1 |
| 10.71 | QSARToolbox | 0 » -1 |