Molecule ID: mol10660
SMILES: O=S(O)CCc1ccccc1
InChI: InChI=1S/C8H10O2S/c9-11(10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.89 | QSARToolbox | 0 » -1 |
| 1.89 | IUPAC digitized pKa | 0 » -1 |
| 1.89 | Datawarrior | 0 » -1 |
| 1.89 | OCHEM | 0 » -1 |
| 2.10 | Baltruschat ChEMBL | 0 » -1 |