Molecule ID: mol29693

SMILES: CCCN(CCC)CCc1cccc2c1CC(=O)N2

InChI: InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization