Molecule ID: mol24588

SMILES: CCCN1CCc2ccccc2C1

InChI: InChI=1S/C12H17N/c1-2-8-13-9-7-11-5-3-4-6-12(11)10-13/h3-6H,2,7-10H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.52 QSARToolbox 1 » 0
8.62 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization