Molecule ID: mol18793

SMILES: Cc1ccc(NS(=O)(=O)Cc2ccc(Br)cc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1

InChI: InChI=1S/C23H22BrN5O5S/c1-14-2-9-19(28-35(32,33)13-15-3-6-17(24)7-4-15)23(31)29(14)12-21(30)26-11-16-5-8-18-20(10-16)34-27-22(18)25/h2-10,28H,11-13H2,1H3,(H2,25,27)(H,26,30)

Experimental Macro pKa Values

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