Molecule ID: mol15416
SMILES: O=C(O)CN(CCNS(=O)(=O)c1ccccc1)CC(=O)O
InChI: InChI=1S/C12H16N2O6S/c15-11(16)8-14(9-12(17)18)7-6-13-21(19,20)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | OCHEM | 0 » -1 |
| 2.10 | Datawarrior | 0 » -1 |
| 7.82 | Datawarrior | -1 » -2 |
| 7.82 | QSARToolbox | -1 » -2 |