Molecule ID: mol18017

SMILES: Cc1nc2c(/C=C/c3ccccc3)cccn2c1C

InChI: InChI=1S/C17H16N2/c1-13-14(2)19-12-6-9-16(17(19)18-13)11-10-15-7-4-3-5-8-15/h3-12H,1-2H3/b11-10+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization