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

Formula:C25H17N3OCl3F5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-(2,4-dichlorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-(2,4-dichlorophenyl)prop-2-enamide
MolecularFormula	C25H17N3OCl3F5
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc(cc1)cc(Cl)c1N(CC1)CCN1c(c(F)c(c(F)c1F)F)c1F
InChI	InChI=1S/C25H17Cl3F5N3O/c26-14-3-1-13(16(27)11-14)2-6-19(37)34-15-4-5-18(17(28)12-15)35-7-9-36(10-8-35)25-23(32)21(30)20(29)22(31)24(25)33/h1-6,11-12H,7-10H2,(H,34,37)
InChIK	REEQMDLWAVVZNC-UHFFFAOYSA-N
TotalMolweight	576.779
Molweight	576.779
MonoisotopicMass	575.035733
CLogP	6.7319
CLogS	-8.726
H Acceptors	4
H Donors	1
TotalSurfaceArea	388.64
Relative PSA	0.081309
PolarSurfaceArea	35.58
Druglikeness	2.623
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.59459
Fragments	1
Non HAtoms	37
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	6
Amides	1
Amines	2
Aromatic Amines	2
StereoCon

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

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