Molecule ID: mol4345

SMILES: [O-][n+]1ccc2ccccc2c1

InChI: InChI=1S/C9H7NO/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.01 QSARToolbox 1 » 0
1.01 Datawarrior 1 » 0
1.01 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization