Molecule ID: mol29405

SMILES: COCCN(CC(=O)O)CC(=O)O

InChI: InChI=1S/C7H13NO5/c1-13-3-2-8(4-6(9)10)5-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.20 AttenGpKa training set 0 » -1
2.20 QSARToolbox 0 » -1
8.96 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization