Molecule ID: mol31988

SMILES: O=[N+]([O-])c1ccccc1CCOCCS(=O)(=O)CCCNCCc1ccc(O)c2nc(O)sc12

InChI: InChI=1S/C22H27N3O7S2/c26-19-7-6-17(21-20(19)24-22(27)33-21)8-11-23-10-3-14-34(30,31)15-13-32-12-9-16-4-1-2-5-18(16)25(28)29/h1-2,4-7,23,26H,3,8-15H2,(H,24,27)

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