Molecule ID: mol18292

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(C(C)C)ccc12

InChI: InChI=1S/C24H25N3O3S/c1-15(2)16-9-11-19-22(13-16)25-20-8-6-5-7-18(20)24(19)26-21-12-10-17(14-23(21)30-3)27-31(4,28)29/h5-15,27H,1-4H3,(H,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization