Molecule ID: mol21326

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)c(Cl)ccc12

InChI: InChI=1S/C22H20ClN3O3S/c1-13-17(23)10-9-16-21(13)24-18-7-5-4-6-15(18)22(16)25-19-11-8-14(12-20(19)29-2)26-30(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
6.71 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization