Molecule ID: mol4869

SMILES: Cn1cc2[nH]cnc2nc1=O

InChI: InChI=1S/C6H6N4O/c1-10-2-4-5(8-3-7-4)9-6(10)11/h2-3H,1H3,(H,7,8,9,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.80 IUPAC digitized pKa 1 » 0
8.80 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization