General Information of the Compound
| Compound ID |
CP0197800
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| Compound Name |
3-[5-(Trifluoroacetyl)thiophen-2-yl]benzoic Acid
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| Structure |
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| Formula |
C13H7F3O3S
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| Molecular Weight |
300.257
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| Canonical SMILES |
OC(=O)c1cccc(c1)-c1ccc(s1)C(=O)C(F)(F)F
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| InChI |
InChI=1S/C13H7F3O3S/c14-13(15,16)11(17)10-5-4-9(20-10)7-2-1-3-8(6-7)12(18)19/h1-6H,(H,18,19)
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| InChIKey |
DXFINMGOOFFGSP-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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Table of Molecular Bioactivities Related to the Compound