Molecule ID: mol18089

SMILES: CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccccc1

InChI: InChI=1S/C23H24N2O3S/c1-3-21(18-9-5-4-6-10-18)24-23(26)20-11-7-8-12-22(20)25-29(27,28)19-15-13-17(2)14-16-19/h4-16,21,25H,3H2,1-2H3,(H,24,26)/t21-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization