Molecule ID: mol26246

SMILES: OC1=Nc2ncc(O)nc2C(O)N1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization