Molecule ID: mol4796

SMILES: Cc1nc2cncnc2nc1C

InChI: InChI=1S/C8H8N4/c1-5-6(2)12-8-7(11-5)3-9-4-10-8/h3-4H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization