Molecule ID: mol23044

SMILES: COc1ccc(/C=[N+](\C)[O-])c(C(=O)O)c1OC

InChI: InChI=1S/C11H13NO5/c1-12(15)6-7-4-5-8(16-2)10(17-3)9(7)11(13)14/h4-6H,1-3H3,(H,13,14)/b12-6+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization