Molecule ID: mol9726

SMILES: Cc1c[nH]cc1C(=O)O

InChI: InChI=1S/C6H7NO2/c1-4-2-7-3-5(4)6(8)9/h2-3,7H,1H3,(H,8,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.65 IUPAC digitized pKa 0 » -1
5.65 Datawarrior 0 » -1
5.65 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization