Molecule ID: mol29420

SMILES: CCC(NC(N)=O)C(=O)O

InChI: InChI=1S/C5H10N2O3/c1-2-3(4(8)9)7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization