Molecule ID: mol18620

SMILES: CNc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1

InChI: InChI=1S/C21H20N4O2S/c1-22-16-11-12-18-20(13-16)24-19-6-4-3-5-17(19)21(18)23-14-7-9-15(10-8-14)25-28(2,26)27/h3-13,22,25H,1-2H3,(H,23,24)

Experimental Macro pKa Values

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