Molecule ID: mol13641

SMILES: COc1cc[n+](O)cc1

InChI: InChI=1S/C6H8NO2/c1-9-6-2-4-7(8)5-3-6/h2-5,8H,1H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization