Molecule ID: mol20775

SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2n[nH]cc2C1

InChI: InChI=1S/C23H27N5O4S/c1-16-7-9-21(27-33(31,32)15-17-5-3-2-4-6-17)23(30)28(16)14-22(29)24-12-18-8-10-20-19(11-18)13-25-26-20/h2-7,9,13,18,27H,8,10-12,14-15H2,1H3,(H,24,29)(H,25,26)

Experimental Macro pKa Values

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