Molecule ID: mol14110
SMILES: COC(=O)c1ccccc1S
InChI: InChI=1S/C8H8O2S/c1-10-8(9)6-4-2-3-5-7(6)11/h2-5,11H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.30 | Datawarrior | 0 » -1 |
| 6.30 | QSARToolbox | 0 » -1 |
| 6.30 | QSARToolbox | 0 » -1 |
| 6.30 | OCHEM | 0 » -1 |
| 6.80 | AttenGpKa training set | 0 » -1 |
| 8.53 | QSARToolbox | 0 » -1 |