Molecule ID: mol26247

SMILES: OC1=Nc2c(O)ncnc2NC1O

InChI: InChI=1S/C6H6N4O3/c11-4-2-3(7-1-8-4)10-6(13)5(12)9-2/h1,6,13H,(H,9,12)(H2,7,8,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.34 AttenGpKa training set -1 » -2
10.08 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization