Molecule ID: mol10751
SMILES: O=C(O)C[S+]([O-])c1cccc(Cl)c1
InChI: InChI=1S/C8H7ClO3S/c9-6-2-1-3-7(4-6)13(12)5-8(10)11/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.66 | IUPAC digitized pKa | 0 » -1 |
| 2.66 | AttenGpKa training set | 0 » -1 |
| 4.29 | QSARToolbox | 0 » -1 |