Molecule ID: mol18604

SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(S(C)(=O)=O)ccc23)cc1

InChI: InChI=1S/C21H19N3O4S2/c1-29(25,26)16-11-12-18-20(13-16)23-19-6-4-3-5-17(19)21(18)22-14-7-9-15(10-8-14)24-30(2,27)28/h3-13,24H,1-2H3,(H,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization