Molecule ID: mol29455

SMILES: CCOc1ccc(NC(=O)CCC(=O)O)cc1

InChI: InChI=1S/C12H15NO4/c1-2-17-10-5-3-9(4-6-10)13-11(14)7-8-12(15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.55 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization