Molecule ID: mol4480

SMILES: COC(=O)C1CN2CCC1CC2

InChI: InChI=1S/C9H15NO2/c1-12-9(11)8-6-10-4-2-7(8)3-5-10/h7-8H,2-6H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization