Molecule ID: mol20367

SMILES: CC1(C)CCc2cc(S(=O)(=O)N(CC(=O)O)Cc3cccc4cccnc34)ccc2O1

InChI: InChI=1S/C23H24N2O5S/c1-23(2)11-10-17-13-19(8-9-20(17)30-23)31(28,29)25(15-21(26)27)14-18-6-3-5-16-7-4-12-24-22(16)18/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization