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(E)-3-(4-chloro-3-nitrophenyl)-N-[3-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]phenyl]prop-2-enamide

Formula:C21H10N2O5ClF13 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(4-chloro-3-nitrophenyl)-N-[3-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]phenyl]prop-2-enamide is not a drug-like molecule.
MolName(E)-3-(4-chloro-3-nitrophenyl)-N-[3-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]phenyl]prop-2-enamide
MolecularFormulaC21H10N2O5ClF13
Smiles[O-][N+](c(cc(/C=C/C(Nc1cc(C(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)ccc1)=O)cc1)c1Cl)=O
InChIInChI=1S/C21H10ClF13N2O5/c22-13-6-4-10(8-14(13)37(39)40)5-7-15(38)36-12-3-1-2-11(9-12)16(23,24)18(27,28)41-19(29,30)17(25,26)20(31,32)42-21(33,34)35/h1-9H,(H,36,38)
InChIKOQABVGYBMFZYOL-UHFFFAOYSA-N
TotalMolweight652.746
Molweight652.746
MonoisotopicMass652.007064
CLogP7.1455
CLogS-8.293
H Acceptors7
H Donors1
TotalSurfaceArea392.83
Relative PSA0.19072
PolarSurfaceArea93.38
Druglikeness-45.813
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functionsaromatic nitro
Shape Index0.5
Fragments1
Non HAtoms42
NonCHAtoms21
Electronegative Atoms21
Rotatable Bond12
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms9
Symmetricatoms7
Amides1
AcidicOxygens1
StereoCon

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