Molecule ID: mol18616

SMILES: COC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1

InChI: InChI=1S/C22H20N4O4S/c1-30-22(27)24-16-11-12-18-20(13-16)25-19-6-4-3-5-17(19)21(18)23-14-7-9-15(10-8-14)26-31(2,28)29/h3-13,26H,1-2H3,(H,23,25)(H,24,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization