Molecule ID: mol857

SMILES: CCN(CC)CCC(=O)Cc1ccccc1

InChI: InChI=1S/C14H21NO/c1-3-15(4-2)11-10-14(16)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.40 QSARToolbox 1 » 0
9.40 IUPAC digitized pKa 1 » 0
9.40 Hunt 1 » 0
9.40 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization