1-(difluoromethoxy)-2-[(E)-2-(4-phenylphenyl)ethenyl]benzene
Formula:C21H16OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(difluoromethoxy)-2-[(E)-2-(4-phenylphenyl)ethenyl]benzene is not a drug-like molecule.
| MolName | 1-(difluoromethoxy)-2-[(E)-2-(4-phenylphenyl)ethenyl]benzene |
| MolecularFormula | C21H16OF2 |
| Smiles | FC(Oc1c(/C=C/c(cc2)ccc2-c2ccccc2)cccc1)F |
| InChI | InChI=1S/C21H16F2O/c22-21(23)24-20-9-5-4-8-19(20)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-15,21H |
| InChIK | VRHBATQSMOYPCV-UHFFFAOYSA-N |
| TotalMolweight | 322.353 |
| Molweight | 322.353 |
| MonoisotopicMass | 322.116921 |
| CLogP | 5.6952 |
| CLogS | -6.46 |
| H Acceptors | 1 |
| TotalSurfaceArea | 254.48 |
| Relative PSA | 0.039296 |
| PolarSurfaceArea | 9.23 |
| Druglikeness | -4.2075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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