Molecule ID: mol3382

SMILES: CC[N+]([O-])(CC)c1ccccc1

InChI: InChI=1S/C10H15NO/c1-3-11(12,4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization