Molecule ID: mol20182

SMILES: Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C19H15N3/c20-13-9-11-14(12-10-13)21-19-15-5-1-3-7-17(15)22-18-8-4-2-6-16(18)19/h1-12H,20H2,(H,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization