Molecule ID: mol19652

SMILES: CC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(C#N)cccc32)c1

InChI: InChI=1S/C22H18ClN5O3S2/c1-14(29)25-12-15-4-2-5-16(10-15)13-28-18-7-3-6-17(11-24)21(18)22(26-28)27-33(30,31)20-9-8-19(23)32-20/h2-10H,12-13H2,1H3,(H,25,29)(H,26,27)

Experimental Macro pKa Values

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