1-fluoro-4-[(E)-2-[(E)-2-phenylethenyl]sulfonylethenyl]benzene
Formula:C16H13O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-fluoro-4-[(E)-2-[(E)-2-phenylethenyl]sulfonylethenyl]benzene is a drug-like molecule.
| MolName | 1-fluoro-4-[(E)-2-[(E)-2-phenylethenyl]sulfonylethenyl]benzene |
| MolecularFormula | C16H13O2FS |
| Smiles | O=S(/C=C/c1ccccc1)(/C=C/c(cc1)ccc1F)=O |
| InChI | InChI=1S/C16H13FO2S/c17-16-8-6-15(7-9-16)11-13-20(18,19)12-10-14-4-2-1-3-5-14/h1-13H |
| InChIK | ZVMIZQUXMOQXDI-UHFFFAOYSA-N |
| TotalMolweight | 288.341 |
| Molweight | 288.341 |
| MonoisotopicMass | 288.062028 |
| CLogP | 2.8101 |
| CLogS | -4.236 |
| H Acceptors | 2 |
| TotalSurfaceArea | 220.95 |
| Relative PSA | 0.12935 |
| PolarSurfaceArea | 42.52 |
| Druglikeness | -3.068 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 1-fluoro-4-[(E)-2-[(E)-2-phenylethenyl]sulfonylethenyl]benzene | 2 - 1-fluoro-4-[(E)-2-[(E)-2-phenylethenyl]sulfonylethenyl]benzene
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