Molecule ID: mol21380

SMILES: Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc(N)cc2)n1

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