Molecule ID: mol34031

SMILES: CCCc1c2c(c(O)c3c(=O)cc(C(=O)O)oc13)CCCC2

InChI: InChI=1S/C17H18O5/c1-2-5-11-9-6-3-4-7-10(9)15(19)14-12(18)8-13(17(20)21)22-16(11)14/h8,19H,2-7H2,1H3,(H,20,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.93 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization