1-fluoro-3-[(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene
Formula:C9H6O2F4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-fluoro-3-[(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene is a drug-like molecule.
| MolName | 1-fluoro-3-[(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene |
| MolecularFormula | C9H6O2F4S |
| Smiles | O=S(C(F)(F)F)(/C=C/c1cc(F)ccc1)=O |
| InChI | InChI=1S/C9H6F4O2S/c10-8-3-1-2-7(6-8)4-5-16(14,15)9(11,12)13/h1-6H |
| InChIK | XUXAIDZOZONQAB-UHFFFAOYSA-N |
| TotalMolweight | 254.203 |
| Molweight | 254.203 |
| MonoisotopicMass | 254.002462 |
| CLogP | 3.0978 |
| CLogS | -3.419 |
| H Acceptors | 2 |
| TotalSurfaceArea | 164.15 |
| Relative PSA | 0.17411 |
| PolarSurfaceArea | 42.52 |
| Druglikeness | -22.036 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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