Molecule ID: mol32011

SMILES: O=S(=O)(CCCOCCSc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12

InChI: InChI=1S/C22H28N2O5S3/c25-19-8-7-17(21-20(19)24-22(26)31-21)9-10-23-11-16-32(27,28)15-4-12-29-13-14-30-18-5-2-1-3-6-18/h1-3,5-8,23,25H,4,9-16H2,(H,24,26)

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