3-thiophen-2-yl-5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,2,4-oxadiazole
Formula:C15H9N2O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-thiophen-2-yl-5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,2,4-oxadiazole is a drug-like molecule.
| MolName | 3-thiophen-2-yl-5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,2,4-oxadiazole |
| MolecularFormula | C15H9N2O2F3S |
| Smiles | FC(Oc1ccc(/C=C/c2nc(-c3cccs3)no2)cc1)(F)F |
| InChI | InChI=1S/C15H9F3N2O2S/c16-15(17,18)21-11-6-3-10(4-7-11)5-8-13-19-14(20-22-13)12-2-1-9-23-12/h1-9H |
| InChIK | AUZYEMUIIOYODD-UHFFFAOYSA-N |
| TotalMolweight | 338.308 |
| Molweight | 338.308 |
| MonoisotopicMass | 338.033682 |
| CLogP | 4.8082 |
| CLogS | -5.599 |
| H Acceptors | 4 |
| TotalSurfaceArea | 241.89 |
| Relative PSA | 0.27455 |
| PolarSurfaceArea | 76.39 |
| Druglikeness | -4.6759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-thiophen-2-yl-5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,2,4-oxadiazole | 2 - 3-thiophen-2-yl-5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,2,4-oxadiazole
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