Molecule ID: mol31997

SMILES: O=S(=O)(CCCNCCc1ccc(O)c2nc(O)sc12)NCCOCc1ccccc1

InChI: InChI=1S/C21H27N3O5S2/c25-18-8-7-17(20-19(18)24-21(26)30-20)9-11-22-10-4-14-31(27,28)23-12-13-29-15-16-5-2-1-3-6-16/h1-3,5-8,22-23,25H,4,9-15H2,(H,24,26)

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