Molecule ID: mol15058
SMILES: Cc1ccc(S(=O)(=O)NCCN(CC(=O)O)CC(=O)O)cc1
InChI: InChI=1S/C13H18N2O6S/c1-10-2-4-11(5-3-10)22(20,21)14-6-7-15(8-12(16)17)9-13(18)19/h2-5,14H,6-9H2,1H3,(H,16,17)(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.15 | Datawarrior | 0 » -1 |
| 2.15 | QSARToolbox | 0 » -1 |
| 2.15 | OCHEM | 0 » -1 |
| 7.86 | Datawarrior | -1 » -2 |