Molecule ID: mol19367

SMILES: NC(=O)CCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C23H21N3O/c24-22(27)11-5-6-16-12-14-17(15-13-16)25-23-18-7-1-3-9-20(18)26-21-10-4-2-8-19(21)23/h1-4,7-10,12-15H,5-6,11H2,(H2,24,27)(H,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization