(4Z)-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
Formula:C18H9NO2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C18H9NO2F6 |
| Smiles | O=C1OC(c2ccc(C(F)(F)F)cc2)=N/C1=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C18H9F6NO2/c19-17(20,21)12-5-1-10(2-6-12)9-14-16(26)27-15(25-14)11-3-7-13(8-4-11)18(22,23)24/h1-9H |
| InChIK | KMMSMLQVSCUAAI-UHFFFAOYSA-N |
| TotalMolweight | 385.262 |
| Molweight | 385.262 |
| MonoisotopicMass | 385.053747 |
| CLogP | 4.2884 |
| CLogS | -5.475 |
| H Acceptors | 3 |
| TotalSurfaceArea | 253.87 |
| Relative PSA | 0.13609 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -6.3529 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - (4Z)-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one | 2 - (4Z)-2-[4-(trifluoromethyl)phenyl]-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
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