Molecule ID: mol35612
SMILES: Cc1ccc(S(=O)(=O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)cc1
InChI: InChI=1S/C15H20N2O8S/c1-11-2-4-12(5-3-11)26(24,25)17(10-15(22)23)7-6-16(8-13(18)19)9-14(20)21/h2-5H,6-10H2,1H3,(H,18,19)(H,20,21)(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | QSARToolbox | 1 » 0 |