Molecule ID: mol13238

SMILES: CNCC(=O)Nc1c(C)cccc1C

InChI: InChI=1S/C11H16N2O/c1-8-5-4-6-9(2)11(8)13-10(14)7-12-3/h4-6,12H,7H2,1-3H3,(H,13,14)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.99 OCHEM 1 » 0
7.99 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization