Molecule ID: mol21468

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

InChI: InChI=1S/C11H12N2O2/c1-2-3-8-15-10-13-6-4-11(5-7-13)9-12-14/h1,4-7,9H,3,8,10H2/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization