Molecule ID: mol33635

SMILES: C(C[N+]1CCCC1)=C(c1ccccc1)c1ccccn1

InChI: InChI=1S/C18H20N2/c1-2-8-16(9-3-1)17(18-10-4-5-12-19-18)11-15-20-13-6-7-14-20/h1-5,8-12H,6-7,13-15H2/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.20 OCHEM 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization