Molecule ID: mol5994

SMILES: Nc1ccc(C23CCCC2C3)cc1

InChI: InChI=1S/C12H15N/c13-11-5-3-9(4-6-11)12-7-1-2-10(12)8-12/h3-6,10H,1-2,7-8,13H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization