Molecule ID: mol19759

SMILES: Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(S(C)(=O)=O)ccc2n1CC(=O)O

InChI: InChI=1S/C23H21N3O5S/c1-15-23(19-9-11-21(27)26(24-19)13-16-6-4-3-5-7-16)18-12-17(32(2,30)31)8-10-20(18)25(15)14-22(28)29/h3-12H,13-14H2,1-2H3,(H,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization