Molecule ID: mol31942

SMILES: O=S(=O)(CCCOCCc1ccccn1)CCNCCc1ccc(O)c2nc(O)sc12

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