Molecule ID: mol4888

SMILES: Cn1c(O)nc2ncncc21

InChI: InChI=1S/C6H6N4O/c1-10-4-2-7-3-8-5(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
2.66 IUPAC digitized pKa 1 » 0
8.23 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization