Molecule ID: mol29603

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

InChI: InChI=1S/C14H20O2/c1-4-13(14(15)16)12-7-5-11(6-8-12)9-10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization