Molecule ID: mol31389

SMILES: CNCC(=O)NO

InChI: InChI=1S/C3H8N2O2/c1-4-2-3(6)5-7/h4,7H,2H2,1H3,(H,5,6)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization