Molecule ID: mol4783

SMILES: Cn1cnc2nccnc2c1=O

InChI: InChI=1S/C7H6N4O/c1-11-4-10-6-5(7(11)12)8-2-3-9-6/h2-4H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.47 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization