General Information of the Compound
| Compound ID |
CP0964782
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| Compound Name |
2-fluoro-3-((2,3,4-trichlorophenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C14H8Cl3FO3
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| Molecular Weight |
349.572
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| Canonical SMILES |
O=C(O)c1cccc(COc2ccc(Cl)c(Cl)c2Cl)c1F
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| InChI |
InChI=1S/C14H8Cl3FO3/c15-9-4-5-10(12(17)11(9)16)21-6-7-2-1-3-8(13(7)18)14(19)20/h1-5H,6H2,(H,19,20)
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| InChIKey |
QVOSWZUTPYOMLE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound