Molecule ID: mol25171

SMILES: CC(=O)c1cc[n+](O)cc1

InChI: InChI=1S/C7H8NO2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.47 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization