Molecule ID: mol15543

SMILES: CCCNC1c2ccccc2C=Cc2ccccc21

InChI: InChI=1S/C18H19N/c1-2-13-19-18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18/h3-12,18-19H,2,13H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.90 OCHEM 1 » 0
8.90 QSARToolbox 1 » 0
8.90 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization