Molecule ID: mol32000

SMILES: Cc1ccccc1CCOCCCS(=O)(=O)CCNCCc1ccc(O)c2nc(O)sc12

InChI: InChI=1S/C23H30N2O5S2/c1-17-5-2-3-6-18(17)10-14-30-13-4-15-32(28,29)16-12-24-11-9-19-7-8-20(26)21-22(19)31-23(27)25-21/h2-3,5-8,24,26H,4,9-16H2,1H3,(H,25,27)

Experimental Macro pKa Values

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