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(E)-1-(5-fluoro-2-phenylmethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

Formula:C23H16O2F4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(5-fluoro-2-phenylmethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is not a drug-like molecule.
MolName(E)-1-(5-fluoro-2-phenylmethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
MolecularFormulaC23H16O2F4
SmilesO=C(/C=C/c1cc(C(F)(F)F)ccc1)c(cc(cc1)F)c1OCc1ccccc1
InChIInChI=1S/C23H16F4O2/c24-19-10-12-22(29-15-17-5-2-1-3-6-17)20(14-19)21(28)11-9-16-7-4-8-18(13-16)23(25,26)27/h1-14H,15H2
InChIKIUXBEQMFPFEZON-UHFFFAOYSA-N
TotalMolweight400.37
Molweight400.37
MonoisotopicMass400.108642
CLogP5.601
CLogS-6.273
H Acceptors2
TotalSurfaceArea296.6
Relative PSA0.07768
PolarSurfaceArea26.3
Druglikeness-7.3275
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.55172
Fragments1
Non HAtoms29
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms4
StereoCon

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