[(E)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene
Formula:C9H7O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene is a drug-like molecule.
| MolName | [(E)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene |
| MolecularFormula | C9H7O2F3S |
| Smiles | O=S(/C=C/C(F)(F)F)(c1ccccc1)=O |
| InChI | InChI=1S/C9H7F3O2S/c10-9(11,12)6-7-15(13,14)8-4-2-1-3-5-8/h1-7H |
| InChIK | MXCAYGIFNXCLMK-UHFFFAOYSA-N |
| TotalMolweight | 236.213 |
| Molweight | 236.213 |
| MonoisotopicMass | 236.011884 |
| CLogP | 1.8058 |
| CLogS | -3.221 |
| H Acceptors | 2 |
| TotalSurfaceArea | 157.8 |
| Relative PSA | 0.18112 |
| PolarSurfaceArea | 42.52 |
| Druglikeness | -18.78 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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