Molecule ID: mol13113

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

InChI: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.16 QSARToolbox 2 » 1
2.17 QSARToolbox 2 » 1
2.17 QSARToolbox 2 » 1
2.18 QSARToolbox 2 » 1
2.20 Datawarrior 2 » 1
2.20 OCHEM 2 » 1
9.13 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization