Molecule ID: mol13338

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

InChI: InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization