(E)-3-(4-chlorophenyl)-1-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one

Formula:C20H17N3O3ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(4-chlorophenyl)-1-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-1-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C20H17N3O3ClF3
Smiles	[O-][N+](c(cc1)cc(C(F)(F)F)c1N(CC1)CCN1C(/C=C/c(cc1)ccc1Cl)=O)=O
InChI	InChI=1S/C20H17ClF3N3O3/c21-15-4-1-14(2-5-15)3-8-19(28)26-11-9-25(10-12-26)18-7-6-16(27(29)30)13-17(18)20(22,23)24/h1-8,13H,9-12H2
InChIK	SBFWGHNUZGYYAC-UHFFFAOYSA-N
TotalMolweight	439.82
Molweight	439.82
MonoisotopicMass	439.091053
CLogP	3.8004
CLogS	-5.017
H Acceptors	6
TotalSurfaceArea	307.96
Relative PSA	0.16418
PolarSurfaceArea	69.37
Druglikeness	-6.8143
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	6
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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