Molecule ID: mol24587

SMILES: CC(C)N1CCc2ccccc2C1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization