Molecule ID: mol21499

SMILES: C#CCCCC[n+]1ccn(C(C)(C)C)c1/C=N/O

InChI: InChI=1S/C14H21N3O/c1-5-6-7-8-9-16-10-11-17(14(2,3)4)13(16)12-15-18/h1,10-12H,6-9H2,2-4H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization