Molecule ID: mol18689

SMILES: COC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C21H16N2O2/c1-25-21(24)14-10-12-15(13-11-14)22-20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3,(H,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization