Molecule ID: mol6122

SMILES: O=C(O)CN(CCOc1ccccc1)CC(=O)O

InChI: InChI=1S/C12H15NO5/c14-11(15)8-13(9-12(16)17)6-7-18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)(H,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.49 IUPAC digitized pKa -1 » -2
8.49 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization