Molecule ID: mol10111

SMILES: Cc1nc2c(=O)[nH]cnc2[nH]c1=O

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.82 IUPAC digitized pKa 0 » -1
6.82 AttenGpKa training set -1 » -2
10.02 IUPAC digitized pKa -1 » -2
10.02 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization