Molecule ID: mol4575

SMILES: c1cc2[nH]ccc2cn1

InChI: InChI=1S/C7H6N2/c1-4-9-7-2-3-8-5-6(1)7/h1-5,9H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization