Molecule ID: mol30819

SMILES: O=C(NC(=O)c1ccccc1O)c1ccccc1O

InChI: InChI=1S/C14H11NO4/c16-11-7-3-1-5-9(11)13(18)15-14(19)10-6-2-4-8-12(10)17/h1-8,16-17H,(H,15,18,19)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.68 AttenGpKa training set 0 » -1
10.09 AttenGpKa training set -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization