Molecule ID: mol9266
SMILES: O=c1cc(S(=O)(=O)O)[nH]c(=O)[nH]1
InChI: InChI=1S/C4H4N2O5S/c7-2-1-3(12(9,10)11)6-4(8)5-2/h1H,(H,9,10,11)(H2,5,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.26 | IUPAC digitized pKa | -1 » -2 |
| 7.26 | Datawarrior | -1 » -2 |
| 7.26 | AttenGpKa training set | -1 » -2 |
| 7.26 | OCHEM | -1 » -2 |