Molecule ID: mol27870

SMILES: O=[N+]([O-])C1C=Cc2ccccc21

InChI: InChI=1S/C9H7NO2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-6,9H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization