Molecule ID: mol21309

SMILES: COc1ccccc1Nc1c2ccccc2nc2ccc(C(C)C)c(NS(C)(=O)=O)c12

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization