Molecule ID: mol29317

SMILES: CNC(CC(N)=O)C(N)=O

InChI: InChI=1S/C5H11N3O2/c1-8-3(5(7)10)2-4(6)9/h3,8H,2H2,1H3,(H2,6,9)(H2,7,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization