Molecule ID: mol31400

SMILES: CN(O)C(=O)c1c[nH]cn1

InChI: InChI=1S/C5H7N3O2/c1-8(10)5(9)4-2-6-3-7-4/h2-3,10H,1H3,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization