Molecule ID: mol9694

SMILES: Nc1cc[n+]([O-])cc1C(=O)O

InChI: InChI=1S/C6H6N2O3/c7-5-1-2-8(11)3-4(5)6(9)10/h1-3H,7H2,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization