Molecule ID: mol35127

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

InChI: InChI=1S/C9H17NO2/c1-10(8-5-9(11)12)6-3-2-4-7-10/h2-8H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization