(E)-1-(2,3,4-trichlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

Formula:C16H8OCl3F3 Mutagenic:low Tumorigenic:low Reproductive Effective:high (E)-1-(2,3,4-trichlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(2,3,4-trichlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
MolecularFormula	C16H8OCl3F3
Smiles	O=C(/C=C/c1ccc(C(F)(F)F)cc1)c(c(Cl)c1Cl)ccc1Cl
InChI	InChI=1S/C16H8Cl3F3O/c17-12-7-6-11(14(18)15(12)19)13(23)8-3-9-1-4-10(5-2-9)16(20,21)22/h1-8H
InChIK	IPPMSIFVLXSORP-UHFFFAOYSA-N
TotalMolweight	379.592
Molweight	379.592
MonoisotopicMass	377.95928
CLogP	5.9701
CLogS	-6.826
H Acceptors	1
TotalSurfaceArea	252.99
Relative PSA	0.051544
PolarSurfaceArea	17.07
Druglikeness	-6.9923
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	polyhalo aromatic ring
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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