Molecule ID: mol23562

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

InChI: InChI=1S/C15H22O2/c1-4-11(3)13-6-8-14(9-7-13)12(5-2)10-15(16)17/h6-9,11-12H,4-5,10H2,1-3H3,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization