Molecule ID: mol29919

SMILES: CCN(CC)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c(C)c1

InChI: InChI=1S/C24H31N2/c1-7-26(8-2)20-15-13-19(18(3)17-20)14-16-23-24(4,5)21-11-9-10-12-22(21)25(23)6/h9-17H,7-8H2,1-6H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.66 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization