2-chloro-1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene
Formula:C14H10O2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene is a drug-like molecule.
| MolName | 2-chloro-1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene |
| MolecularFormula | C14H10O2ClFS |
| Smiles | O=S(/C=C/c1ccccc1)(c(cc1)cc(Cl)c1F)=O |
| InChI | InChI=1S/C14H10ClFO2S/c15-13-10-12(6-7-14(13)16)19(17,18)9-8-11-4-2-1-3-5-11/h1-10H |
| InChIK | PORFEFUFFPYAOS-UHFFFAOYSA-N |
| TotalMolweight | 296.748 |
| Molweight | 296.748 |
| MonoisotopicMass | 296.007405 |
| CLogP | 3.1447 |
| CLogS | -4.759 |
| H Acceptors | 2 |
| TotalSurfaceArea | 209.87 |
| Relative PSA | 0.13618 |
| PolarSurfaceArea | 42.52 |
| Druglikeness | -4.845 |
| 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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