Molecule ID: mol17679

SMILES: CC(=O)Nc1ccc2c(Nc3ccc(NS(=O)(=O)CCCCN)cc3)c3ccccc3nc2c1

InChI: InChI=1S/C25H27N5O3S/c1-17(31)27-20-12-13-22-24(16-20)29-23-7-3-2-6-21(23)25(22)28-18-8-10-19(11-9-18)30-34(32,33)15-5-4-14-26/h2-3,6-13,16,30H,4-5,14-15,26H2,1H3,(H,27,31)(H,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.16 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization