Molecule ID: mol14232
SMILES: Cc1cccc(S(N)(=O)=O)c1
InChI: InChI=1S/C7H9NO2S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.51 | Datawarrior | 0 » -1 |
| 9.51 | OCHEM | 0 » -1 |
| 9.79 | AttenGpKa training set | 0 » -1 |