Molecule ID: mol32025

SMILES: Cc1ncsc1CCOCCCS(=O)(=O)CCNCCc1ccc(O)c2nc(O)sc12

InChI: InChI=1S/C20H27N3O5S3/c1-14-17(29-13-22-14)6-10-28-9-2-11-31(26,27)12-8-21-7-5-15-3-4-16(24)18-19(15)30-20(25)23-18/h3-4,13,21,24H,2,5-12H2,1H3,(H,23,25)

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