Molecule ID: mol10113

SMILES: Cn1cc(O)nc2c(=O)ncnc1-2

InChI: InChI=1S/C7H6N4O2/c1-11-2-4(12)10-5-6(11)8-3-9-7(5)13/h2-3,12H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization