Molecule ID: mol12897

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

InChI: InChI=1S/C5H11N3O4/c6-3(4(9)10)1-2-12-8-5(7)11/h3H,1-2,6H2,(H,9,10)(H3,7,8,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.50 Datawarrior 2 » 1
2.50 OCHEM 2 » 1
2.50 QSARToolbox 2 » 1
8.90 OCHEM 0 » -1
8.90 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization