Molecule ID: mol1705

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

InChI: InChI=1S/C19H33N2/c1-3-4-9-14-20(19-12-7-5-8-13-19)15-18-21(2)16-10-6-11-17-21/h5,7-8,12-13H,3-4,6,9-11,14-18H2,1-2H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization