Molecule ID: mol20217

SMILES: Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C20H16N2/c1-14-10-12-15(13-11-14)21-20-16-6-2-4-8-18(16)22-19-9-5-3-7-17(19)20/h2-13H,1H3,(H,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization