Molecule ID: mol27333

SMILES: O=C(O)C1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1

InChI: InChI=1S/C17H13NO4/c19-14-13(15(20)21)17(16(22)18-14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,20,21)(H,18,19,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization