Molecule ID: mol21331

SMILES: COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(NS(C)(=O)=O)cc3OC)c2c1

InChI: InChI=1S/C22H20ClN3O4S/c1-29-15-6-9-18-17(12-15)22(16-7-4-13(23)10-20(16)24-18)25-19-8-5-14(11-21(19)30-2)26-31(3,27)28/h4-12,26H,1-3H3,(H,24,25)

Experimental Macro pKa Values

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