Molecule ID: mol18681

SMILES: CS(=O)(=O)Nc1cccc(Nc2c3ccccc3nc3ccccc23)c1

InChI: InChI=1S/C20H17N3O2S/c1-26(24,25)23-15-8-6-7-14(13-15)21-20-16-9-2-4-11-18(16)22-19-12-5-3-10-17(19)20/h2-13,23H,1H3,(H,21,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.85 Baltruschat ChEMBL 1 » 0
6.85 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization