Molecule ID: mol21327

SMILES: CCC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1

InChI: InChI=1S/C23H22N4O3S/c1-3-22(28)24-17-12-13-19-21(14-17)26-20-7-5-4-6-18(20)23(19)25-15-8-10-16(11-9-15)27-31(2,29)30/h4-14,27H,3H2,1-2H3,(H,24,28)(H,25,26)

Experimental Macro pKa Values

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