Molecule ID: mol19419

SMILES: CCCCNC(=O)c1cccc2c(Nc3ccc(NS(=O)(=O)CCC)cc3OC)c3ccccc3nc12

InChI: InChI=1S/C28H32N4O4S/c1-4-6-16-29-28(33)22-12-9-11-21-26(20-10-7-8-13-23(20)30-27(21)22)31-24-15-14-19(18-25(24)36-3)32-37(34,35)17-5-2/h7-15,18,32H,4-6,16-17H2,1-3H3,(H,29,33)(H,30,31)

Experimental Macro pKa Values

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