Molecule ID: mol10948

SMILES: O=c1cc(-c2ccccc2)[nH]o1

InChI: InChI=1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-6,10H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization