Molecule ID: mol24577

SMILES: CC(=O)NC12CCN(CC1)CC2

InChI: InChI=1S/C9H16N2O/c1-8(12)10-9-2-5-11(6-3-9)7-4-9/h2-7H2,1H3,(H,10,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization