2-[(E)-2-(4-fluorophenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
Formula:C14H9N2OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole is a drug-like molecule.
| MolName | 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole |
| MolecularFormula | C14H9N2OFS |
| Smiles | Fc1ccc(/C=C/c2nnc(-c3cccs3)o2)cc1 |
| InChI | InChI=1S/C14H9FN2OS/c15-11-6-3-10(4-7-11)5-8-13-16-17-14(18-13)12-2-1-9-19-12/h1-9H |
| InChIK | QURYWDULRWUVDV-UHFFFAOYSA-N |
| TotalMolweight | 272.302 |
| Molweight | 272.302 |
| MonoisotopicMass | 272.041961 |
| CLogP | 3.7055 |
| CLogS | -5 |
| H Acceptors | 3 |
| TotalSurfaceArea | 208.78 |
| Relative PSA | 0.27019 |
| PolarSurfaceArea | 67.16 |
| Druglikeness | 1.2385 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole | 2 - 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
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