5-[(E)-2-(4-fluorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one
Formula:C10H7N2O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-(4-fluorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one is a drug-like molecule.
| MolName | 5-[(E)-2-(4-fluorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one |
| MolecularFormula | C10H7N2O2F |
| Smiles | O=C1OC(/C=C/c(cc2)ccc2F)=NN1 |
| InChI | InChI=1S/C10H7FN2O2/c11-8-4-1-7(2-5-8)3-6-9-12-13-10(14)15-9/h1-6H,(H,13,14) |
| InChIK | RBFMGYABONJBID-UHFFFAOYSA-N |
| TotalMolweight | 206.176 |
| Molweight | 206.176 |
| MonoisotopicMass | 206.049156 |
| CLogP | 1.6223 |
| CLogS | -3.592 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 154.79 |
| Relative PSA | 0.29724 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -2.8896 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 5-[(E)-2-(4-fluorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one | 2 - 5-[(E)-2-(4-fluorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one
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