Molecule ID: mol24543

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

InChI: InChI=1S/C9H15NO/c1-8(11)9-2-5-10(6-3-9)7-4-9/h2-7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization