(E)-3-(4-nitrophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide

Formula:C20H15N2O5F7 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-nitrophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-nitrophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
MolecularFormula	C20H15N2O5F7
Smiles	[O-][N+](c1ccc(/C=C/C(Nc2cc(OCC(F)(F)F)cc(OCC(C(F)F)(F)F)c2)=O)cc1)=O
InChI	InChI=1S/C20H15F7N2O5/c21-18(22)19(23,24)10-33-15-7-13(8-16(9-15)34-11-20(25,26)27)28-17(30)6-3-12-1-4-14(5-2-12)29(31)32/h1-9,18H,10-11H2,(H,28,30)
InChIK	AVFBAAFKJKLQSQ-UHFFFAOYSA-N
TotalMolweight	496.334
Molweight	496.334
MonoisotopicMass	496.086919
CLogP	3.8484
CLogS	-6.523
H Acceptors	7
H Donors	1
TotalSurfaceArea	337.69
Relative PSA	0.22186
PolarSurfaceArea	93.38
Druglikeness	-17.823
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	11
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	6
Amides	1
AcidicOxygens	1
StereoCon

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1 - (E)-3-(4-nitrophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide | 2 - (E)-3-(4-nitrophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide

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