Molecule ID: mol24617

SMILES: CN1OC2(CC1=O)CN1CCC2CC1

InChI: InChI=1S/C10H16N2O2/c1-11-9(13)6-10(14-11)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.39 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization