Molecule ID: mol25860

SMILES: O=C(O)c1nnn[nH]1

InChI: InChI=1S/C2H2N4O2/c7-2(8)1-3-5-6-4-1/h(H,7,8)(H,3,4,5,6)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.99 AttenGpKa training set 1 » 0
5.32 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization