Molecule ID: mol11007
SMILES: O=C(O)CSCc1ccccc1
InChI: InChI=1S/C9H10O2S/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.71 | IUPAC digitized pKa | 0 » -1 |
| 3.73 | Datawarrior | 0 » -1 |
| 3.73 | OCHEM | 0 » -1 |
| 3.73 | AttenGpKa training set | 0 » -1 |
| 3.73 | QSARToolbox | 0 » -1 |
| 3.73 | QSARToolbox | 0 » -1 |