Molecule ID: mol24549

SMILES: O=C(O)C12CCN(CC1)CC2

InChI: InChI=1S/C8H13NO2/c10-7(11)8-1-4-9(5-2-8)6-3-8/h1-6H2,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.54 AttenGpKa training set 1 » 0
10.51 QSARToolbox 0 » -1
10.54 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization