Molecule ID: mol11011
SMILES: CSc1ccccc1SCC(=O)O
InChI: InChI=1S/C9H10O2S2/c1-12-7-4-2-3-5-8(7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.57 | QSARToolbox | 0 » -1 |
| 3.57 | IUPAC digitized pKa | 0 » -1 |
| 3.66 | AttenGpKa training set | 0 » -1 |