Molecule ID: mol10601
SMILES: O=C(O)CSc1ccccc1
InChI: InChI=1S/C8H8O2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.66 | OCHEM | 0 » -1 |
| 2.66 | OCHEM | 0 » -1 |
| 3.37 | IUPAC digitized pKa | 0 » -1 |
| 3.38 | IUPAC digitized pKa | 0 » -1 |
| 3.49 | AttenGpKa training set | 0 » -1 |
| 3.52 | QSARToolbox | 0 » -1 |
| 3.52 | QSARToolbox | 0 » -1 |
| 3.52 | QSARToolbox | 0 » -1 |
| 3.52 | Datawarrior | 0 » -1 |
| 3.52 | OCHEM | 0 » -1 |
| 3.57 | IUPAC digitized pKa | 0 » -1 |