Molecule ID: mol32002

SMILES: CS(=O)(=O)Nc1ccc(CCOCCCS(=O)(=O)CCNCCc2ccc(O)c3nc(O)sc23)cc1

InChI: InChI=1S/C23H31N3O7S3/c1-35(29,30)26-19-6-3-17(4-7-19)10-14-33-13-2-15-36(31,32)16-12-24-11-9-18-5-8-20(27)21-22(18)34-23(28)25-21/h3-8,24,26-27H,2,9-16H2,1H3,(H,25,28)

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