Molecule ID: mol10168

SMILES: COc1cc[n+]([O-])cc1C(=O)O

InChI: InChI=1S/C7H7NO4/c1-12-6-2-3-8(11)4-5(6)7(9)10/h2-4H,1H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization