Molecule ID: mol10675
SMILES: C[S+](C)c1cccc(O)c1
InChI: InChI=1S/C8H10OS/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.67 | IUPAC digitized pKa | 1 » 0 |
| 7.67 | Datawarrior | 1 » 0 |
| 7.67 | AttenGpKa training set | 1 » 0 |
| 7.67 | QSARToolbox | 1 » 0 |
| 7.67 | OCHEM | 1 » 0 |