Molecule ID: mol13749

SMILES: Cc1ccc(C2CCCN2C)cn1

InChI: InChI=1S/C11H16N2/c1-9-5-6-10(8-12-9)11-4-3-7-13(11)2/h5-6,8,11H,3-4,7H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.78 QSARToolbox 2 » 1
3.78 Datawarrior 2 » 1
3.78 OCHEM 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization