Molecule ID: mol11008
SMILES: Cc1ccccc1SCC(=O)O
InChI: InChI=1S/C9H10O2S/c1-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.38 | IUPAC digitized pKa | 0 » -1 |
| 3.38 | QSARToolbox | 0 » -1 |
| 3.46 | Datawarrior | 0 » -1 |
| 3.46 | OCHEM | 0 » -1 |
| 3.49 | AttenGpKa training set | 0 » -1 |
| 3.55 | QSARToolbox | 0 » -1 |
| 3.55 | QSARToolbox | 0 » -1 |