(4E)-2-(2-chloro-4,5-difluorophenyl)-4-[(2-iodophenyl)methylidene]-1,3-oxazol-5-one
Formula:C16H7NO2ClF2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(2-chloro-4,5-difluorophenyl)-4-[(2-iodophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(2-chloro-4,5-difluorophenyl)-4-[(2-iodophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C16H7NO2ClF2I |
| Smiles | O=C1OC(c(cc(c(F)c2)F)c2Cl)=N/C1=C/c(cccc1)c1I |
| InChI | InChI=1S/C16H7ClF2INO2/c17-10-7-12(19)11(18)6-9(10)15-21-14(16(22)23-15)5-8-3-1-2-4-13(8)20/h1-7H |
| InChIK | QFSBEEQNWDUHSJ-UHFFFAOYSA-N |
| TotalMolweight | 445.586 |
| Molweight | 445.586 |
| MonoisotopicMass | 444.91781 |
| CLogP | 3.8365 |
| CLogS | -6.299 |
| H Acceptors | 3 |
| TotalSurfaceArea | 249.35 |
| Relative PSA | 0.13856 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 0.15442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (4E)-2-(2-chloro-4,5-difluorophenyl)-4-[(2-iodophenyl)methylidene]-1,3-oxazol-5-one | 2 - (4E)-2-(2-chloro-4,5-difluorophenyl)-4-[(2-iodophenyl)methylidene]-1,3-oxazol-5-one
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