Molecule ID: mol13257
SMILES: O=C(O)CNS(=O)(=O)c1ccccc1
InChI: InChI=1S/C8H9NO4S/c10-8(11)6-9-14(12,13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.45 | AttenGpKa training set | 0 » -1 |
| 11.40 | QSARToolbox | -1 » -2 |
| 11.40 | Datawarrior | -1 » -2 |
| 11.40 | OCHEM | -1 » -2 |