Molecule ID: mol36858

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

InChI: InChI=1S/C7H13NO2/c1-8(6-7(9)10)4-2-3-5-8/h2-6H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization