Molecule ID: mol7025

SMILES: N#Cc1cncnc1N

InChI: InChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization