(4Z)-2-(2-chlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one
Formula:C17H9NO3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(2-chlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-(2-chlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C17H9NO3ClF3 |
| Smiles | O=C1OC(c(cccc2)c2Cl)=N/C1=C\c(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C17H9ClF3NO3/c18-13-4-2-1-3-12(13)15-22-14(16(23)24-15)9-10-5-7-11(8-6-10)25-17(19,20)21/h1-9H |
| InChIK | ACUWJJNIQLVAGF-UHFFFAOYSA-N |
| TotalMolweight | 367.709 |
| Molweight | 367.709 |
| MonoisotopicMass | 367.022305 |
| CLogP | 4.2968 |
| CLogS | -5.678 |
| H Acceptors | 4 |
| TotalSurfaceArea | 249.83 |
| Relative PSA | 0.17832 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -7.0689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (4Z)-2-(2-chlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one | 2 - (4Z)-2-(2-chlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one
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