5-[(E)-2-phenylethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Formula:C17H11N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-phenylethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is a drug-like molecule.
| MolName | 5-[(E)-2-phenylethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole |
| MolecularFormula | C17H11N2OF3 |
| Smiles | FC(c(cc1)ccc1-c1noc(/C=C/c2ccccc2)n1)(F)F |
| InChI | InChI=1S/C17H11F3N2O/c18-17(19,20)14-9-7-13(8-10-14)16-21-15(23-22-16)11-6-12-4-2-1-3-5-12/h1-11H |
| InChIK | WYZVVBMNPVFPDZ-UHFFFAOYSA-N |
| TotalMolweight | 316.281 |
| Molweight | 316.281 |
| MonoisotopicMass | 316.082347 |
| CLogP | 4.534 |
| CLogS | -5.433 |
| H Acceptors | 3 |
| TotalSurfaceArea | 235.95 |
| Relative PSA | 0.15279 |
| PolarSurfaceArea | 38.92 |
| Druglikeness | -5.9101 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 5-[(E)-2-phenylethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole | 2 - 5-[(E)-2-phenylethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
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