Molecule ID: mol9873
SMILES: O=S(O)c1ccc(Cl)cc1
InChI: InChI=1S/C6H5ClO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.15 | QSARToolbox | 0 » -1 |
| 1.15 | QSARToolbox | 0 » -1 |
| 1.15 | QSARToolbox | 0 » -1 |
| 1.81 | QSARToolbox | 0 » -1 |
| 1.81 | IUPAC digitized pKa | 0 » -1 |
| 1.81 | AttenGpKa training set | 0 » -1 |
| 2.76 | IUPAC digitized pKa | 0 » -1 |