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[(E)-1-phenyl-2-[phenyl(trifluoromethylsulfonyloxy)-lambda3-iodanyl]ethenyl] trifluoromethanesulfonate

Formula:C16H11O6F6IS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-1-phenyl-2-[phenyl(trifluoromethylsulfonyloxy)-lambda3-iodanyl]ethenyl] trifluoromethanesulfonate is not a drug-like molecule.
MolName[(E)-1-phenyl-2-[phenyl(trifluoromethylsulfonyloxy)-lambda3-iodanyl]ethenyl] trifluoromethanesulfonate
MolecularFormulaC16H11O6F6IS2
SmilesO=S(C(F)(F)F)(O/C(/c1ccccc1)=C/I(c1ccccc1)OS(C(F)(F)F)(=O)=O)=O
InChIInChI=1S/C16H11F6IO6S2/c17-15(18,19)30(24,25)28-14(12-7-3-1-4-8-12)11-23(13-9-5-2-6-10-13)29-31(26,27)16(20,21)22/h1-11H
InChIKHYUZXGBUIONUJX-UHFFFAOYSA-N
TotalMolweight604.277
Molweight604.277
MonoisotopicMass603.894596
CLogP6.4469
CLogS-6.218
H Acceptors6
TotalSurfaceArea333.59
Relative PSA0.2313
PolarSurfaceArea103.5
Druglikeness-34.964
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty FunctionsCl,Br,I on N,O,P,S,Se,I; alkyl sulfonate/sulfate type
Shape Index0.35484
Fragments1
Non HAtoms31
NonCHAtoms15
Electronegative Atoms15
Rotatable Bond9
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms10
StereoCon

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