Molecule ID: mol4827

SMILES: Cc1ncc2nccnc2n1

InChI: InChI=1S/C7H6N4/c1-5-10-4-6-7(11-5)9-3-2-8-6/h2-4H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization