Molecule ID: mol31587

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

InChI: InChI=1S/C10H14N2O/c1-2-3-6-12-7-4-10(5-8-12)9-11-13/h4-5,7-9H,2-3,6H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization