Molecule ID: mol21328

SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccc(Cl)cc3nc3ccc(N)cc23)cc1

InChI: InChI=1S/C20H17ClN4O2S/c1-28(26,27)25-15-6-4-14(5-7-15)23-20-16-8-2-12(21)10-19(16)24-18-9-3-13(22)11-17(18)20/h2-11,25H,22H2,1H3,(H,23,24)

Experimental Macro pKa Values

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