Molecule ID: mol20773

SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2nc(N)sc2C1

InChI: InChI=1S/C23H27N5O4S2/c1-15-7-9-19(27-34(31,32)14-16-5-3-2-4-6-16)22(30)28(15)13-21(29)25-12-17-8-10-18-20(11-17)33-23(24)26-18/h2-7,9,17,27H,8,10-14H2,1H3,(H2,24,26)(H,25,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.50 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization