(E)-3-(4-chlorophenyl)-1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]prop-2-en-1-one

Formula:C19H14N2OClF5 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(4-chlorophenyl)-1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C19H14N2OClF5
Smiles	O=C(/C=C/c(cc1)ccc1Cl)N(CC1)CCN1c(c(F)c(c(F)c1F)F)c1F
InChI	InChI=1S/C19H14ClF5N2O/c20-12-4-1-11(2-5-12)3-6-13(28)26-7-9-27(10-8-26)19-17(24)15(22)14(21)16(23)18(19)25/h1-6H,7-10H2
InChIK	RDZTYQWDSGYLBS-UHFFFAOYSA-N
TotalMolweight	416.776
Molweight	416.776
MonoisotopicMass	416.07148
CLogP	4.3777
CLogS	-5.349
H Acceptors	3
TotalSurfaceArea	286.58
Relative PSA	0.070277
PolarSurfaceArea	23.55
Druglikeness	4.17
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	8
Amides	1
Amines	1
Aromatic Amines	1
StereoCon

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1 - (E)-3-(4-chlorophenyl)-1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]prop-2-en-1-one | 2 - (E)-3-(4-chlorophenyl)-1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]prop-2-en-1-one

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