3-(4-chlorophenyl)-5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,2,4-oxadiazole
Formula:C17H10N2O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-chlorophenyl)-5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,2,4-oxadiazole is not a drug-like molecule.
| MolName | 3-(4-chlorophenyl)-5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,2,4-oxadiazole |
| MolecularFormula | C17H10N2O2ClF3 |
| Smiles | FC(Oc1ccc(/C=C/c2nc(-c(cc3)ccc3Cl)no2)cc1)(F)F |
| InChI | InChI=1S/C17H10ClF3N2O2/c18-13-6-4-12(5-7-13)16-22-15(25-23-16)10-3-11-1-8-14(9-2-11)24-17(19,20)21/h1-10H |
| InChIK | BZIKMNZDRRWOML-UHFFFAOYSA-N |
| TotalMolweight | 366.725 |
| Molweight | 366.725 |
| MonoisotopicMass | 366.038289 |
| CLogP | 5.3907 |
| CLogS | -6.414 |
| H Acceptors | 4 |
| TotalSurfaceArea | 261.37 |
| Relative PSA | 0.17619 |
| PolarSurfaceArea | 48.15 |
| Druglikeness | -6.654 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-(4-chlorophenyl)-5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,2,4-oxadiazole | 2 - 3-(4-chlorophenyl)-5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,2,4-oxadiazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off