Molecule ID: mol29612

SMILES: CC(C(=O)O)c1ccc(C(F)C(C)C)cc1

InChI: InChI=1S/C13H17FO2/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12H,1-3H3,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization