Molecule ID: mol25311

SMILES: Nc1nn[nH]c1C(=O)O

InChI: InChI=1S/C3H4N4O2/c4-2-1(3(8)9)5-7-6-2/h(H,8,9)(H3,4,5,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization