(E)-1,1,1-trifluoro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-3-en-2-one

Formula:C15H14N2OF6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,1,1-trifluoro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-3-en-2-one is a drug-like molecule.

MolName	(E)-1,1,1-trifluoro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-3-en-2-one
MolecularFormula	C15H14N2OF6
Smiles	O=C(C(F)(F)F)/C=C/N(CC1)CCN1c1cccc(C(F)(F)F)c1
InChI	InChI=1S/C15H14F6N2O/c16-14(17,18)11-2-1-3-12(10-11)23-8-6-22(7-9-23)5-4-13(24)15(19,20)21/h1-5,10H,6-9H2
InChIK	HYNDEJMHKXOBDU-UHFFFAOYSA-N
TotalMolweight	352.277
Molweight	352.277
MonoisotopicMass	352.101031
CLogP	2.7863
CLogS	-3.455
H Acceptors	3
TotalSurfaceArea	238.57
Relative PSA	0.08442
PolarSurfaceArea	23.55
Druglikeness	-28.059
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	6
Amines	1
Aromatic Amines	1
StereoCon

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