Molecule ID: mol31994

SMILES: O=S(=O)(CCCNCCc1ccc(O)c2nc(O)sc12)NCCOCCSc1ccccc1

InChI: InChI=1S/C22H29N3O5S3/c26-19-8-7-17(21-20(19)25-22(27)32-21)9-11-23-10-4-16-33(28,29)24-12-13-30-14-15-31-18-5-2-1-3-6-18/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