Molecule ID: mol36859

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

InChI: InChI=1S/C8H15NO2/c1-9(5-2-3-6-9)7-4-8(10)11/h2-7H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization