Molecule ID: mol4954

SMILES: Cn1ncc2cncnc21

InChI: InChI=1S/C6H6N4/c1-10-6-5(3-9-10)2-7-4-8-6/h2-4H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.46 IUPAC digitized pKa 1 » 0
2.50 Datawarrior 1 » 0
2.50 OCHEM 1 » 0
2.50 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization