Molecule ID: mol31996

SMILES: O=S(=O)(CCCNCCc1ccc(O)c2nc(O)sc12)CCNCCc1ccccc1

InChI: InChI=1S/C22H29N3O4S2/c26-19-8-7-18(21-20(19)25-22(27)30-21)10-13-23-11-4-15-31(28,29)16-14-24-12-9-17-5-2-1-3-6-17/h1-3,5-8,23-24,26H,4,9-16H2,(H,25,27)

Experimental Macro pKa Values

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