Molecule ID: mol29449

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

InChI: InChI=1S/C12H11NO4/c1-2-17-10-5-3-9(4-6-10)13-11(14)7-8-12(15)16/h2-8H,1H2,(H,13,14)(H,15,16)/b8-7+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization