Molecule ID: mol14216

SMILES: CC1=CC(=O)C=C(C)C1=NO

InChI: InChI=1S/C8H9NO2/c1-5-3-7(10)4-6(2)8(5)9-11/h3-4,11H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization