Molecule ID: mol29570

SMILES: CCOC(=O)c1cc(=O)[nH]c(=O)n1C

InChI: InChI=1S/C8H10N2O4/c1-3-14-7(12)5-4-6(11)9-8(13)10(5)2/h4H,3H2,1-2H3,(H,9,11,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization