Molecule ID: mol29452

SMILES: C=COc1ccc(NC(=O)CCC(=O)O)cc1

InChI: InChI=1S/C12H13NO4/c1-2-17-10-5-3-9(4-6-10)13-11(14)7-8-12(15)16/h2-6H,1,7-8H2,(H,13,14)(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization