Molecule ID: mol9687
SMILES: O=S(O)c1ccccc1
InChI: InChI=1S/C6H6O2S/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.29 | QSARToolbox | 0 » -1 |
| 1.29 | QSARToolbox | 0 » -1 |
| 1.29 | IUPAC digitized pKa | 0 » -1 |
| 1.50 | OCHEM | 0 » -1 |
| 1.50 | OCHEM | 0 » -1 |
| 1.72 | Datawarrior | 0 » -1 |
| 1.72 | OCHEM | 0 » -1 |
| 1.84 | IUPAC digitized pKa | 0 » -1 |
| 2.10 | QSARToolbox | 0 » -1 |
| 2.16 | IUPAC digitized pKa | 0 » -1 |
| 2.16 | QSARToolbox | 0 » -1 |
| 2.16 | QSARToolbox | 0 » -1 |
| 2.16 | QSARToolbox | 0 » -1 |
| 2.67 | AttenGpKa training set | 0 » -1 |
| 2.76 | IUPAC digitized pKa | 0 » -1 |