Molecule ID: mol6148

SMILES: CC(C)NCC(O)c1ccc(C#N)cc1

InChI: InChI=1S/C12H16N2O/c1-9(2)14-8-12(15)11-5-3-10(7-13)4-6-11/h3-6,9,12,14-15H,8H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.28 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization