Molecule ID: mol12340
SMILES: O=C(O)c1ccsc1
InChI: InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.92 | QSARToolbox | 0 » -1 |
| 3.92 | QSARToolbox | 0 » -1 |
| 3.92 | QSARToolbox | 0 » -1 |
| 4.03 | Datawarrior | 0 » -1 |
| 4.03 | OCHEM | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | OCHEM | 0 » -1 |
| 4.10 | OCHEM | 0 » -1 |