Molecule ID: mol32021

SMILES: O=S(=O)(CCCOCCc1ccccc1)NCCNCCc1ccc(O)c2nc(O)sc12

InChI: InChI=1S/C22H29N3O5S2/c26-19-8-7-18(21-20(19)25-22(27)31-21)9-11-23-12-13-24-32(28,29)16-4-14-30-15-10-17-5-2-1-3-6-17/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