Molecule ID: mol4781

SMILES: Cn1cnc(=O)c2nccnc21

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization