Molecule ID: mol13558
SMILES: O=C(O)Cc1ccsc1
InChI: InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.07 | Datawarrior | 0 » -1 |
| 4.07 | OCHEM | 0 » -1 |
| 4.07 | QSARToolbox | 0 » -1 |
| 4.07 | QSARToolbox | 0 » -1 |
| 4.07 | OCHEM | 0 » -1 |