Molecule ID: mol19979

SMILES: CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)cc2)c1

InChI: InChI=1S/C19H20N2O3S/c1-20-13-15-12-19(16-6-4-3-5-7-16)21(14-15)25(22,23)18-10-8-17(24-2)9-11-18/h3-12,14,20H,13H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization