Molecule ID: mol9102
SMILES: O=C1CSC(=O)N1
InChI: InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.24 | QSARToolbox | 0 » -1 |
| 6.44 | IUPAC digitized pKa | 0 » -1 |
| 6.54 | Datawarrior | 0 » -1 |
| 6.54 | OCHEM | 0 » -1 |
| 6.62 | QSARToolbox | 0 » -1 |
| 6.62 | QSARToolbox | 0 » -1 |
| 6.64 | AttenGpKa training set | 0 » -1 |
| 6.77 | QSARToolbox | 0 » -1 |
| 6.82 | Baltruschat ChEMBL | 0 » -1 |