Molecule ID: mol9638

SMILES: O=C1C=CC(=NO)C=C1

InChI: InChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,9H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.25 IUPAC digitized pKa 0 » -1
6.25 AttenGpKa training set 0 » -1
6.35 IUPAC digitized pKa 0 » -1
6.36 Datawarrior 0 » -1
6.36 OCHEM 0 » -1
6.36 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization