Molecule ID: mol9658

SMILES: O=C(O)c1c[n+]([O-])ccc1O

InChI: InChI=1S/C6H5NO4/c8-5-1-2-7(11)3-4(5)6(9)10/h1-3,8H,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization