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

Formula:C25H18N3OCl2F5 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]prop-2-enamide
MolecularFormula	C25H18N3OCl2F5
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc(cc1)ccc1N(CC1)CCN1c(c(F)c(c(F)c1F)F)c1F
InChI	InChI=1S/C25H18Cl2F5N3O/c26-15-3-1-14(18(27)13-15)2-8-19(36)33-16-4-6-17(7-5-16)34-9-11-35(12-10-34)25-23(31)21(29)20(28)22(30)24(25)32/h1-8,13H,9-12H2,(H,33,36)
InChIK	FOLUKSPELQZIRK-UHFFFAOYSA-N
TotalMolweight	542.334
Molweight	542.334
MonoisotopicMass	541.074706
CLogP	6.1259
CLogS	-7.99
H Acceptors	4
H Donors	1
TotalSurfaceArea	373.22
Relative PSA	0.084669
PolarSurfaceArea	35.58
Druglikeness	2.623
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.61111
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	8
Amides	1
Amines	2
Aromatic Amines	2
StereoCon

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

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