Molecule ID: mol4689

SMILES: c1cnc2nccnc2c1

InChI: InChI=1S/C7H5N3/c1-2-6-7(9-3-1)10-5-4-8-6/h1-5H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization