(E)-3-phenyl-N-[2,2,2-trichloro-1-(2,4,6-trichlorophenoxy)ethyl]prop-2-enamide

Formula:C17H11NO2Cl6 Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-3-phenyl-N-[2,2,2-trichloro-1-(2,4,6-trichlorophenoxy)ethyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-phenyl-N-[2,2,2-trichloro-1-(2,4,6-trichlorophenoxy)ethyl]prop-2-enamide
MolecularFormula	C17H11NO2Cl6
Smiles	O=C(/C=C/c1ccccc1)NC(C(Cl)(Cl)Cl)Oc(c(Cl)cc(Cl)c1)c1Cl
InChI	InChI=1S/C17H11Cl6NO2/c18-11-8-12(19)15(13(20)9-11)26-16(17(21,22)23)24-14(25)7-6-10-4-2-1-3-5-10/h1-9,16H,(H,24,25)/t16-/m0/s1
InChIK	XGXHZHKFQDKXDD-INIZCTEOSA-N
TotalMolweight	473.997
Molweight	473.997
MonoisotopicMass	470.892091
CLogP	6.3341
CLogS	-6.971
H Acceptors	3
H Donors	1
TotalSurfaceArea	314.16
Relative PSA	0.10982
PolarSurfaceArea	38.33
Druglikeness	0.12527
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	polyhalo aromatic ring
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	7
Amides	1
StereoCon	racemate

Click to Load Molecule:

1 - (E)-3-phenyl-N-[2,2,2-trichloro-1-(2,4,6-trichlorophenoxy)ethyl]prop-2-enamide | 2 - (E)-3-phenyl-N-[2,2,2-trichloro-1-(2,4,6-trichlorophenoxy)ethyl]prop-2-enamide

Request More Details | (E)-3-phenyl-N-[2,2,2-trichloro-1-(2,4,6-trichlorophenoxy)ethyl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments