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)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.50 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization