Molecule ID: mol31949

SMILES: O=S(=O)(CCCNCCc1ccc(O)c2nc(O)sc12)NCCOCCc1cccc(Cl)c1

InChI: InChI=1S/C22H28ClN3O5S2/c23-18-4-1-3-16(15-18)8-12-31-13-11-25-33(29,30)14-2-9-24-10-7-17-5-6-19(27)20-21(17)32-22(28)26-20/h1,3-6,15,24-25,27H,2,7-14H2,(H,26,28)

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