Molecule ID: mol25170

SMILES: CC(=O)c1cccc[n+]1O

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.45 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization