2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-5-phenyl-1,3-benzoxazole
Formula:C22H15NO2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-5-phenyl-1,3-benzoxazole is not a drug-like molecule.
| MolName | 2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-5-phenyl-1,3-benzoxazole |
| MolecularFormula | C22H15NO2F2 |
| Smiles | FC(Oc1c(/C=C/c2nc(cc(cc3)-c4ccccc4)c3o2)cccc1)F |
| InChI | InChI=1S/C22H15F2NO2/c23-22(24)27-19-9-5-4-8-16(19)11-13-21-25-18-14-17(10-12-20(18)26-21)15-6-2-1-3-7-15/h1-14,22H |
| InChIK | AZVZOPCEZQFCEV-UHFFFAOYSA-N |
| TotalMolweight | 363.362 |
| Molweight | 363.362 |
| MonoisotopicMass | 363.107085 |
| CLogP | 5.5965 |
| CLogS | -6.589 |
| H Acceptors | 3 |
| TotalSurfaceArea | 277.53 |
| Relative PSA | 0.1264 |
| PolarSurfaceArea | 35.26 |
| Druglikeness | -3.1953 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-5-phenyl-1,3-benzoxazole | 2 - 2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-5-phenyl-1,3-benzoxazole
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