Molecule ID: mol24768

SMILES: C[N+]1(O)C2CCC1CC(O)C2

InChI: InChI=1S/C8H16NO2/c1-9(11)6-2-3-7(9)5-8(10)4-6/h6-8,10-11H,2-5H2,1H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization