| MolName | (4Z)-2-(4-bromophenyl)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C23H15NO3BrF |
| Smiles | O=C1OC(c(cc2)ccc2Br)=N/C1=C\c(cc1)ccc1OCc(cc1)ccc1F |
| InChI | InChI=1S/C23H15BrFNO3/c24-18-7-5-17(6-8-18)22-26-21(23(27)29-22)13-15-3-11-20(12-4-15)28-14-16-1-9-19(25)10-2-16/h1-13H,14H2 |
| InChIK | YWTMZOZJNQRJHI-UHFFFAOYSA-N |
| TotalMolweight | 452.278 |
| Molweight | 452.278 |
| MonoisotopicMass | 451.021933 |
| CLogP | 4.7659 |
| CLogS | -6.408 |
| H Acceptors | 4 |
| TotalSurfaceArea | 303.45 |
| Relative PSA | 0.14681 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -2.4229 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (4Z)-2-(4-bromophenyl)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one | 2 - (4Z)-2-(4-bromophenyl)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one