Molecule ID: mol20777

SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2nn(C)cc2C1

InChI: InChI=1S/C23H27N5O4S/c1-16-8-10-21(26-33(31,32)15-17-6-4-3-5-7-17)23(30)28(16)14-22(29)24-19-9-11-20-18(12-19)13-27(2)25-20/h3-8,10,13,19,26H,9,11-12,14-15H2,1-2H3,(H,24,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.20 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization