Molecule ID: mol24825

SMILES: CC[N+](O)(CC)c1ccc(Cl)cc1

InChI: InChI=1S/C10H15ClNO/c1-3-12(13,4-2)10-7-5-9(11)6-8-10/h5-8,13H,3-4H2,1-2H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization