Molecule ID: mol9476
SMILES: O=C(O)c1cc(Br)cs1
InChI: InChI=1S/C5H3BrO2S/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.11 | QSARToolbox | 0 » -1 |
| 3.11 | QSARToolbox | 0 » -1 |
| 3.11 | OCHEM | 0 » -1 |
| 3.11 | IUPAC digitized pKa | 0 » -1 |
| 3.11 | Datawarrior | 0 » -1 |
| 3.13 | AttenGpKa training set | 0 » -1 |