Molecule ID: mol21490

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

InChI: InChI=1S/C12H14N2O/c1-2-3-4-6-9-14-10-7-5-8-12(14)11-13-15/h1,5,7-8,10-11H,3-4,6,9H2/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.93 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization