Molecule ID: mol4584

SMILES: c1cnc2cccnc2c1

InChI: InChI=1S/C8H6N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1-6H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.13 AttenGpKa training set 2 » 1
2.84 IUPAC digitized pKa 1 » 0
2.91 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization