Molecule ID: mol9477
SMILES: O=C(O)c1ccc(Br)s1
InChI: InChI=1S/C5H3BrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.19 | IUPAC digitized pKa | 0 » -1 |
| 3.30 | QSARToolbox | 0 » -1 |
| 3.30 | QSARToolbox | 0 » -1 |
| 3.30 | IUPAC digitized pKa | 0 » -1 |
| 3.30 | Datawarrior | 0 » -1 |
| 3.30 | OCHEM | 0 » -1 |