| MolName | 1,4-bis[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]benzene |
| MolecularFormula | C24H18O2F4 |
| Smiles | FC(Oc1ccc(/C=C/c2ccc(/C=C/c(cc3)ccc3OC(F)F)cc2)cc1)F |
| InChI | InChI=1S/C24H18F4O2/c25-23(26)29-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(16-12-20)30-24(27)28/h1-16,23-24H |
| InChIK | CWSUAICYQNMXCQ-UHFFFAOYSA-N |
| TotalMolweight | 414.397 |
| Molweight | 414.397 |
| MonoisotopicMass | 414.124292 |
| CLogP | 6.4124 |
| CLogS | -7.132 |
| H Acceptors | 2 |
| TotalSurfaceArea | 316.18 |
| Relative PSA | 0.063255 |
| PolarSurfaceArea | 18.46 |
| Druglikeness | -4.2075 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 19 |
| StereoCon |
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1 - 1,4-bis[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]benzene | 2 - 1,4-bis[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]benzene