Molecule ID: mol10739
SMILES: O=C(O)CSc1ccccc1Cl
InChI: InChI=1S/C8H7ClO2S/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.23 | IUPAC digitized pKa | 0 » -1 |
| 3.23 | QSARToolbox | 0 » -1 |
| 3.23 | QSARToolbox | 0 » -1 |
| 3.42 | AttenGpKa training set | 0 » -1 |
| 3.52 | QSARToolbox | 0 » -1 |
| 3.52 | QSARToolbox | 0 » -1 |