Molecule ID: mol11555

SMILES: O=C(O)C1C(=O)NC(=O)C1c1ccccc1

InChI: InChI=1S/C11H9NO4/c13-9-7(6-4-2-1-3-5-6)8(11(15)16)10(14)12-9/h1-5,7-8H,(H,15,16)(H,12,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.90 AttenGpKa training set 0 » -1
8.92 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization