Molecule ID: mol13911
SMILES: NS(=O)(=O)c1ccccc1C(=O)O
InChI: InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.91 | AttenGpKa training set | 0 » -1 |
| 3.14 | Datawarrior | 0 » -1 |
| 3.14 | OCHEM | 0 » -1 |
| 10.68 | AttenGpKa training set | -1 » -2 |