4-[(E)-3-[4-(2,5-dichlorophenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine

Formula:C19H15NO2Cl2F4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[(E)-3-[4-(2,5-dichlorophenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine is not a drug-like molecule.

MolName4-[(E)-3-[4-(2,5-dichlorophenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
MolecularFormulaC19H15NO2Cl2F4
SmilesFc(c(/C=C/CN1CCOCC1)c(c(F)c1Oc(cc(cc2)Cl)c2Cl)F)c1F
InChIInChI=1S/C19H15Cl2F4NO2/c20-11-3-4-13(21)14(10-11)28-19-17(24)15(22)12(16(23)18(19)25)2-1-5-26-6-8-27-9-7-26/h1-4,10H,5-9H2
InChIKMIDXTKZWZCQVSG-UHFFFAOYSA-N
TotalMolweight436.231
Molweight436.231
MonoisotopicMass435.041595
CLogP5.0235
CLogS-6.739
H Acceptors3
TotalSurfaceArea301.36
Relative PSA0.078146
PolarSurfaceArea21.7
Druglikeness0.19168
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functionspolyhalo aromatic ring
Shape Index0.57143
Fragments1
Non HAtoms28
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms6
Amines1
AlkylAmines1
BasicNitrogens1
StereoCon

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