[(E)-2-[phenyl(trifluoromethylsulfonyloxy)-lambda3-iodanyl]ethenyl] trifluoromethanesulfonate
Formula:C10H7O6F6IS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-[phenyl(trifluoromethylsulfonyloxy)-lambda3-iodanyl]ethenyl] trifluoromethanesulfonate is not a drug-like molecule.
| MolName | [(E)-2-[phenyl(trifluoromethylsulfonyloxy)-lambda3-iodanyl]ethenyl] trifluoromethanesulfonate |
| MolecularFormula | C10H7O6F6IS2 |
| Smiles | O=S(C(F)(F)F)(O/C=C/I(c1ccccc1)OS(C(F)(F)F)(=O)=O)=O |
| InChI | InChI=1S/C10H7F6IO6S2/c11-9(12,13)24(18,19)22-7-6-17(8-4-2-1-3-5-8)23-25(20,21)10(14,15)16/h1-7H |
| InChIK | JIQRHORFLNANRI-UHFFFAOYSA-N |
| TotalMolweight | 528.18 |
| Molweight | 528.18 |
| MonoisotopicMass | 527.863296 |
| CLogP | 4.6603 |
| CLogS | -5.132 |
| H Acceptors | 6 |
| TotalSurfaceArea | 275.62 |
| Relative PSA | 0.27995 |
| PolarSurfaceArea | 103.5 |
| Druglikeness | -35.858 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | Cl,Br,I on N,O,P,S,Se,I; alkyl sulfonate/sulfate type |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 8 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - [(E)-2-[phenyl(trifluoromethylsulfonyloxy)-lambda3-iodanyl]ethenyl] trifluoromethanesulfonate | 2 - [(E)-2-[phenyl(trifluoromethylsulfonyloxy)-lambda3-iodanyl]ethenyl] trifluoromethanesulfonate
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