Molecule ID: mol19980

SMILES: CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccc(C)cc2)c1

InChI: InChI=1S/C19H19FN2O2S/c1-14-7-9-16(10-8-14)25(23,24)22-13-15(12-21-2)11-19(22)17-5-3-4-6-18(17)20/h3-11,13,21H,12H2,1-2H3

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