Molecule ID: mol15057
SMILES: Cc1ccc(S(=O)(=O)N(CCNCC(=O)O)CC(=O)O)cc1
InChI: InChI=1S/C13H18N2O6S/c1-10-2-4-11(5-3-10)22(20,21)15(9-13(18)19)7-6-14-8-12(16)17/h2-5,14H,6-9H2,1H3,(H,16,17)(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.99 | Datawarrior | 1 » 0 |
| 1.99 | OCHEM | 1 » 0 |
| 1.99 | QSARToolbox | 1 » 0 |
| 7.83 | Datawarrior | -1 » -2 |