Molecule ID: mol18597

SMILES: COc1ccc2nc3ccccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2c1

InChI: InChI=1S/C21H19N3O3S/c1-27-16-11-12-20-18(13-16)21(17-5-3-4-6-19(17)23-20)22-14-7-9-15(10-8-14)24-28(2,25)26/h3-13,24H,1-2H3,(H,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization