Molecule ID: mol19219

SMILES: Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccco3)C(=O)c3ccccc3C2=O)c1

InChI: InChI=1S/C22H18N2O5S/c1-13-10-14(2)12-15(11-13)23-19-20(24-30(27,28)18-8-5-9-29-18)22(26)17-7-4-3-6-16(17)21(19)25/h3-12,23-24H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization