2,4-difluoro-1-[(E)-2-phenylethenyl]sulfonylbenzene
Formula:C14H10O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-difluoro-1-[(E)-2-phenylethenyl]sulfonylbenzene is a drug-like molecule.
| MolName | 2,4-difluoro-1-[(E)-2-phenylethenyl]sulfonylbenzene |
| MolecularFormula | C14H10O2F2S |
| Smiles | O=S(/C=C/c1ccccc1)(c(ccc(F)c1)c1F)=O |
| InChI | InChI=1S/C14H10F2O2S/c15-12-6-7-14(13(16)10-12)19(17,18)9-8-11-4-2-1-3-5-11/h1-10H |
| InChIK | ZSLOZQQCNGUMKA-UHFFFAOYSA-N |
| TotalMolweight | 280.293 |
| Molweight | 280.293 |
| MonoisotopicMass | 280.036956 |
| CLogP | 2.6395 |
| CLogS | -4.337 |
| H Acceptors | 2 |
| TotalSurfaceArea | 200.8 |
| Relative PSA | 0.14233 |
| PolarSurfaceArea | 42.52 |
| Druglikeness | -3.9369 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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