| MolName | (4Z)-2-(2-chloro-4,5-difluorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C23H13NO3Cl2F2 |
| Smiles | O=C1OC(c(cc(c(F)c2)F)c2Cl)=N/C1=C\c(cccc1)c1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C23H13Cl2F2NO3/c24-16-7-3-1-6-14(16)12-30-21-8-4-2-5-13(21)9-20-23(29)31-22(28-20)15-10-18(26)19(27)11-17(15)25/h1-11H,12H2 |
| InChIK | LHIIJXOXRIALNJ-UHFFFAOYSA-N |
| TotalMolweight | 460.262 |
| Molweight | 460.262 |
| MonoisotopicMass | 459.024054 |
| CLogP | 5.3535 |
| CLogS | -7.36 |
| H Acceptors | 4 |
| TotalSurfaceArea | 322.01 |
| Relative PSA | 0.13835 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -0.53451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - (4Z)-2-(2-chloro-4,5-difluorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one | 2 - (4Z)-2-(2-chloro-4,5-difluorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one