Molecule ID: mol6003

SMILES: CCC(C)N(CC[N+]1(C)CCCCC1)c1ccccc1

InChI: InChI=1S/C18H31N2/c1-4-17(2)19(18-11-7-5-8-12-18)13-16-20(3)14-9-6-10-15-20/h5,7-8,11-12,17H,4,6,9-10,13-16H2,1-3H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.34 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization