Molecule ID: mol29404

SMILES: O=C(O)CN(CCCO)CC(=O)O

InChI: InChI=1S/C7H13NO5/c9-3-1-2-8(4-6(10)11)5-7(12)13/h9H,1-5H2,(H,10,11)(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization