Molecule ID: mol29355

SMILES: C=CC(NC(=O)c1ccccc1)C(=O)O

InChI: InChI=1S/C11H11NO3/c1-2-9(11(14)15)12-10(13)8-6-4-3-5-7-8/h2-7,9H,1H2,(H,12,13)(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization