Molecule ID: mol19651

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

InChI: InChI=1S/C22H21ClN4O4S2/c1-14(29)24-11-15-4-2-5-16(10-15)12-27-18-7-3-6-17(13-28)21(18)22(25-27)26-33(30,31)20-9-8-19(23)32-20/h2-10,28H,11-13H2,1H3,(H,24,29)(H,25,26)

Experimental Macro pKa Values

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