Molecule ID: mol14662
SMILES: Cc1ccc(S(=O)(=O)NC(CCC(N)=O)C(=O)O)cc1
InChI: InChI=1S/C12H16N2O5S/c1-8-2-4-9(5-3-8)20(18,19)14-10(12(16)17)6-7-11(13)15/h2-5,10,14H,6-7H2,1H3,(H2,13,15)(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.80 | Datawarrior | -1 » -2 |
| 11.80 | OCHEM | -1 » -2 |
| 11.80 | QSARToolbox | -1 » -2 |