Molecule ID: mol23040

SMILES: CCc1cc(CC)c(OC)c(C(=O)O)c1OC

InChI: InChI=1S/C13H18O4/c1-5-8-7-9(6-2)12(17-4)10(13(14)15)11(8)16-3/h7H,5-6H2,1-4H3,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization