Molecule ID: mol20779

SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2nc(N)ncc2C1

InChI: InChI=1S/C24H28N6O4S/c1-16-7-9-21(29-35(33,34)15-17-5-3-2-4-6-17)23(32)30(16)14-22(31)26-12-18-8-10-20-19(11-18)13-27-24(25)28-20/h2-7,9,13,18,29H,8,10-12,14-15H2,1H3,(H,26,31)(H2,25,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization