(E)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide

Formula:C25H20N3OF5 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide
MolecularFormula	C25H20N3OF5
Smiles	O=C(/C=C/c1ccccc1)Nc(cc1)ccc1N(CC1)CCN1c(c(F)c(c(F)c1F)F)c1F
InChI	InChI=1S/C25H20F5N3O/c26-20-21(27)23(29)25(24(30)22(20)28)33-14-12-32(13-15-33)18-9-7-17(8-10-18)31-19(34)11-6-16-4-2-1-3-5-16/h1-11H,12-15H2,(H,31,34)
InChIK	CBUOIOWYCVBIOZ-UHFFFAOYSA-N
TotalMolweight	473.444
Molweight	473.444
MonoisotopicMass	473.152652
CLogP	4.9139
CLogS	-6.518
H Acceptors	4
H Donors	1
TotalSurfaceArea	342.38
Relative PSA	0.092295
PolarSurfaceArea	35.58
Druglikeness	2.6034
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	10
Amides	1
Amines	2
Aromatic Amines	2
StereoCon

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