Molecule ID: mol29599

SMILES: CCCNCCc1cccc2c1CC(=O)N2

InChI: InChI=1S/C13H18N2O/c1-2-7-14-8-6-10-4-3-5-12-11(10)9-13(16)15-12/h3-5,14H,2,6-9H2,1H3,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization