Molecule ID: mol1884
SMILES: O=[S@](O)Cc1ccccc1
InChI: InChI=1S/C7H8O2S/c8-10(9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.45 | IUPAC digitized pKa | 0 » -1 |
| 1.45 | Hunt | 0 » -1 |
| 1.45 | AttenGpKa training set | 0 » -1 |
| 1.45 | QSARToolbox | 0 » -1 |
| 1.86 | Datawarrior | 0 » -1 |
| 1.86 | OCHEM | 0 » -1 |
| 2.28 | QSARToolbox | 0 » -1 |