Molecule ID: mol4481

SMILES: c1ccc(C2CN3CCC2CC3)cc1

InChI: InChI=1S/C13H17N/c1-2-4-11(5-3-1)13-10-14-8-6-12(13)7-9-14/h1-5,12-13H,6-10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization