Molecule ID: mol21362

SMILES: COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(Cl)cc3nc2c1

InChI: InChI=1S/C21H18ClN3O3S/c1-28-16-8-10-18-20(12-16)24-19-11-13(22)3-9-17(19)21(18)23-14-4-6-15(7-5-14)25-29(2,26)27/h3-12,25H,1-2H3,(H,23,24)

Experimental Macro pKa Values

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