Molecule ID: mol31568

SMILES: OCC[n+]1ccc(/C=N/O)cc1

InChI: InChI=1S/C8H10N2O2/c11-6-5-10-3-1-8(2-4-10)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
8.30 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization