Molecule ID: mol23121

SMILES: COc1cc([N+](=O)[O-])c(C=O)c(C(=O)O)c1OC

InChI: InChI=1S/C10H9NO7/c1-17-7-3-6(11(15)16)5(4-12)8(10(13)14)9(7)18-2/h3-4H,1-2H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization