Molecule ID: mol36862

SMILES: C[N+]1(CCCCCC(=O)O)CCCC1

InChI: InChI=1S/C11H21NO2/c1-12(9-5-6-10-12)8-4-2-3-7-11(13)14/h2-10H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization