Molecule ID: mol10108

SMILES: Cc1[nH]c(=O)[nH]c2nc(=O)cnc1-2

InChI: InChI=1S/C7H6N4O2/c1-3-5-6(11-7(13)9-3)10-4(12)2-8-5/h2H,1H3,(H2,9,10,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization