Molecule ID: mol32023

SMILES: C[C@@H](COCCCS(=O)(=O)CCNCCc1ccc(O)c2nc(O)sc12)c1ccccc1

InChI: InChI=1S/C23H30N2O5S2/c1-17(18-6-3-2-4-7-18)16-30-13-5-14-32(28,29)15-12-24-11-10-19-8-9-20(26)21-22(19)31-23(27)25-21/h2-4,6-9,17,24,26H,5,10-16H2,1H3,(H,25,27)/t17-/m0/s1

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