Molecule ID: mol14226

SMILES: C[N+]1(CC(=O)O)CCCCC1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization