Molecule ID: mol8236

SMILES: Cc1nc2c(O)nc(O)nc2nc1O

InChI: InChI=1S/C7H6N4O3/c1-2-5(12)9-4-3(8-2)6(13)11-7(14)10-4/h1H3,(H3,9,10,11,12,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.13 IUPAC digitized pKa 0 » -1
10.09 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization