Molecule ID: mol3517

SMILES: c1ccc2c(c1)CCC2NC1CCc2ccccc21

InChI: InChI=1S/C18H19N/c1-3-7-15-13(5-1)9-11-17(15)19-18-12-10-14-6-2-4-8-16(14)18/h1-8,17-19H,9-12H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.46 IUPAC digitized pKa 1 » 0
6.46 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization