Molecule ID: mol13705

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

InChI: InChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.93 Datawarrior 1 » 0
2.93 OCHEM 1 » 0
2.94 QSARToolbox 1 » 0
8.31 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization