Molecule ID: mol24308

SMILES: CCN(CC)Cc1cccc([N+](=O)[O-])c1

InChI: InChI=1S/C11H16N2O2/c1-3-12(4-2)9-10-6-5-7-11(8-10)13(14)15/h5-8H,3-4,9H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization