1-[(E)-2-[4-(difluoromethylsulfonyl)phenyl]ethenyl]-4-phenylbenzene
Formula:C21H16O2F2S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-[4-(difluoromethylsulfonyl)phenyl]ethenyl]-4-phenylbenzene is not a drug-like molecule.
| MolName | 1-[(E)-2-[4-(difluoromethylsulfonyl)phenyl]ethenyl]-4-phenylbenzene |
| MolecularFormula | C21H16O2F2S |
| Smiles | O=S(C(F)F)(c1ccc(/C=C/c(cc2)ccc2-c2ccccc2)cc1)=O |
| InChI | InChI=1S/C21H16F2O2S/c22-21(23)26(24,25)20-14-10-17(11-15-20)7-6-16-8-12-19(13-9-16)18-4-2-1-3-5-18/h1-15,21H |
| InChIK | WTHHTLTVGYRJRL-UHFFFAOYSA-N |
| TotalMolweight | 370.418 |
| Molweight | 370.418 |
| MonoisotopicMass | 370.083906 |
| CLogP | 5.9455 |
| CLogS | -6.876 |
| H Acceptors | 2 |
| TotalSurfaceArea | 273.06 |
| Relative PSA | 0.10467 |
| PolarSurfaceArea | 42.52 |
| Druglikeness | -3.7045 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - 1-[(E)-2-[4-(difluoromethylsulfonyl)phenyl]ethenyl]-4-phenylbenzene | 2 - 1-[(E)-2-[4-(difluoromethylsulfonyl)phenyl]ethenyl]-4-phenylbenzene
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