Molecule ID: mol13557
SMILES: O=C(O)c1csc(Br)c1
InChI: InChI=1S/C5H3BrO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.66 | QSARToolbox | 0 » -1 |
| 3.66 | QSARToolbox | 0 » -1 |
| 3.70 | Datawarrior | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.74 | QSARToolbox | 0 » -1 |