Molecule ID: mol18622

SMILES: Cc1cccc2nc3ccccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c12

InChI: InChI=1S/C21H19N3O2S/c1-14-6-5-9-19-20(14)21(17-7-3-4-8-18(17)23-19)22-15-10-12-16(13-11-15)24-27(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
6.43 Baltruschat ChEMBL 1 » 0
6.43 Baltruschat ChEMBL 1 » 0
6.43 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization