Molecule ID: mol21379

SMILES: Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(N)c2)n1

InChI: InChI=1S/C23H21N5O3S/c1-15-13-21(28(27-15)19-6-4-5-17(24)14-19)23(29)26-18-11-9-16(10-12-18)20-7-2-3-8-22(20)32(25,30)31/h2-14H,24H2,1H3,(H,26,29)(H2,25,30,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization