Molecule ID: mol2211

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

InChI: InChI=1S/C16H27N2/c1-3-17(16-10-6-4-7-11-16)12-15-18(2)13-8-5-9-14-18/h4,6-7,10-11H,3,5,8-9,12-15H2,1-2H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization