Molecule ID: mol22910

SMILES: C[N+](C)(C)CCc1ccc(C(=O)O)cc1

InChI: InChI=1S/C12H17NO2/c1-13(2,3)9-8-10-4-6-11(7-5-10)12(14)15/h4-7H,8-9H2,1-3H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization