Molecule ID: mol31951

SMILES: O=S(=O)(CCCOCCc1nccs1)CCNCCc1ccc(O)c2nc(O)sc12

InChI: InChI=1S/C19H25N3O5S3/c23-15-3-2-14(18-17(15)22-19(24)29-18)4-6-20-8-13-30(25,26)12-1-9-27-10-5-16-21-7-11-28-16/h2-3,7,11,20,23H,1,4-6,8-10,12-13H2,(H,22,24)

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