Molecule ID: mol11922

SMILES: C[n+]1ccccc1C(=NO)c1ccccc1

InChI: InChI=1S/C13H12N2O/c1-15-10-6-5-9-12(15)13(14-16)11-7-3-2-4-8-11/h2-10H,1H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.70 QSARToolbox 1 » 0
8.70 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization