Molecule ID: mol20776

SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2n[nH]cc2C1

InChI: InChI=1S/C22H25N5O4S/c1-15-7-9-20(26-32(30,31)14-16-5-3-2-4-6-16)22(29)27(15)13-21(28)24-18-8-10-19-17(11-18)12-23-25-19/h2-7,9,12,18,26H,8,10-11,13-14H2,1H3,(H,23,25)(H,24,28)

Experimental Macro pKa Values

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