Molecule ID: mol22911

SMILES: CC[N+](C)(CC)c1cccc(C(=O)O)c1

InChI: InChI=1S/C12H17NO2/c1-4-13(3,5-2)11-8-6-7-10(9-11)12(14)15/h6-9H,4-5H2,1-3H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization