Molecule ID: mol10104
SMILES: O=c1cccccc1S
InChI: InChI=1S/C7H6OS/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.89 | AttenGpKa training set | 0 » -1 |
| 5.90 | IUPAC digitized pKa | 0 » -1 |
| 5.90 | Datawarrior | 0 » -1 |
| 5.90 | OCHEM | 0 » -1 |
| 5.90 | OCHEM | 0 » -1 |