1-[(E)-2-benzylsulfonylethenyl]-4-fluorobenzene
Formula:C15H13O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-benzylsulfonylethenyl]-4-fluorobenzene is a drug-like molecule.
| MolName | 1-[(E)-2-benzylsulfonylethenyl]-4-fluorobenzene |
| MolecularFormula | C15H13O2FS |
| Smiles | O=S(Cc1ccccc1)(/C=C/c(cc1)ccc1F)=O |
| InChI | InChI=1S/C15H13FO2S/c16-15-8-6-13(7-9-15)10-11-19(17,18)12-14-4-2-1-3-5-14/h1-11H,12H2 |
| InChIK | CJZVNSBEGOPYSR-UHFFFAOYSA-N |
| TotalMolweight | 276.33 |
| Molweight | 276.33 |
| MonoisotopicMass | 276.062028 |
| CLogP | 2.518 |
| CLogS | -4.141 |
| H Acceptors | 2 |
| TotalSurfaceArea | 208.21 |
| Relative PSA | 0.13727 |
| PolarSurfaceArea | 42.52 |
| Druglikeness | -7.928 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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