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

Formula:C25H17N4O3Cl2F5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chloro-3-nitrophenyl)-N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(4-chloro-3-nitrophenyl)-N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]prop-2-enamide
MolecularFormula	C25H17N4O3Cl2F5
Smiles	[O-][N+](c(cc(/C=C/C(Nc(cc1)cc(Cl)c1N(CC1)CCN1c(c(F)c(c(F)c1F)F)c1F)=O)cc1)c1Cl)=O
InChI	InChI=1S/C25H17Cl2F5N4O3/c26-15-4-1-13(11-18(15)36(38)39)2-6-19(37)33-14-3-5-17(16(27)12-14)34-7-9-35(10-8-34)25-23(31)21(29)20(28)22(30)24(25)32/h1-6,11-12H,7-10H2,(H,33,37)
InChIK	WDESSIZTEIKPKV-UHFFFAOYSA-N
TotalMolweight	587.331
Molweight	587.331
MonoisotopicMass	586.059785
CLogP	5.2043
CLogS	-8.45
H Acceptors	7
H Donors	1
TotalSurfaceArea	396.89
Relative PSA	0.15626
PolarSurfaceArea	81.4
Druglikeness	-2.499
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; polyhalo aromatic ring
Shape Index	0.5641
Fragments	1
Non HAtoms	39
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	6
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments