Molecule ID: mol31569

SMILES: OCC[n+]1ccccc1/C=N/O

InChI: InChI=1S/C8H10N2O2/c11-6-5-10-4-2-1-3-8(10)7-9-12/h1-4,7,11H,5-6H2/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization