Molecule ID: mol20209

SMILES: Cc1ccccc1Nc1c2ccccc2nc2ccccc12

InChI: InChI=1S/C20H16N2/c1-14-8-2-5-11-17(14)22-20-15-9-3-6-12-18(15)21-19-13-7-4-10-16(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
7.76 Baltruschat ChEMBL 1 » 0
7.76 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization