Molecule ID: mol20172

SMILES: Oc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C19H14N2O/c22-14-11-9-13(10-12-14)20-19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12,22H,(H,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization