Molecule ID: mol18731

SMILES: CCCC12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(C)c1C)C2

InChI: InChI=1S/C20H24O4/c1-4-6-20-7-5-15(21)9-16(20)19-13(3)12(2)17(8-14(19)10-20)24-11-18(22)23/h8-9H,4-7,10-11H2,1-3H3,(H,22,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.30 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization