Molecule ID: mol18593

SMILES: CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C23H23N3O2S/c1-2-3-16-29(27,28)26-18-14-12-17(13-15-18)24-23-19-8-4-6-10-21(19)25-22-11-7-5-9-20(22)23/h4-15,26H,2-3,16H2,1H3,(H,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization