Molecule ID: mol13638

SMILES: CO[n+]1ccc(O)cc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization