Molecule ID: mol26051

SMILES: O[n+]1ccc2ccccc2c1

InChI: InChI=1S/C9H8NO/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization