Molecule ID: mol26531

SMILES: Cc1cc2nc(Cc3ccccc3)[nH]c2cc1C

InChI: InChI=1S/C16H16N2/c1-11-8-14-15(9-12(11)2)18-16(17-14)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.20 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization