Molecule ID: mol5046

SMILES: c1ccc2c(c1)cnc1ncccc12

InChI: InChI=1S/C12H8N2/c1-2-5-10-9(4-1)8-14-12-11(10)6-3-7-13-12/h1-8H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.20 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization