Molecule ID: mol472
SMILES: C=CCS
InChI: InChI=1S/C3H6S/c1-2-3-4/h2,4H,1,3H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.96 | OCHEM | 0 » -1 |
| 9.96 | Hunt | 0 » -1 |
| 9.96 | AttenGpKa training set | 0 » -1 |
| 9.96 | QSARToolbox | 0 » -1 |
| 10.00 | IUPAC digitized pKa | 0 » -1 |