Molecule ID: mol22626

SMILES: Cc1ccccc1N(CC(=O)O)CC(=O)O

InChI: InChI=1S/C11H13NO4/c1-8-4-2-3-5-9(8)12(6-10(13)14)7-11(15)16/h2-5H,6-7H2,1H3,(H,13,14)(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization