Molecule ID: mol12499
SMILES: NS(=O)(=O)C(F)(F)Br
InChI: InChI=1S/CH2BrF2NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.53 | Datawarrior | 0 » -1 |
| 6.53 | OCHEM | 0 » -1 |
| 6.53 | OCHEM | 0 » -1 |
| 6.53 | QSARToolbox | 0 » -1 |
| 6.53 | QSARToolbox | 0 » -1 |
| 6.53 | QSARToolbox | 0 » -1 |