(4Z)-4-[(5-bromo-2-fluorophenyl)methylidene]-2-(4-chlorophenyl)-1,3-oxazol-5-one
Formula:C16H8NO2BrClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(5-bromo-2-fluorophenyl)methylidene]-2-(4-chlorophenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(5-bromo-2-fluorophenyl)methylidene]-2-(4-chlorophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C16H8NO2BrClF |
| Smiles | O=C1OC(c(cc2)ccc2Cl)=N/C1=C\c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C16H8BrClFNO2/c17-11-3-6-13(19)10(7-11)8-14-16(21)22-15(20-14)9-1-4-12(18)5-2-9/h1-8H |
| InChIK | SNRFBDMWUXKUCP-UHFFFAOYSA-N |
| TotalMolweight | 380.6 |
| Molweight | 380.6 |
| MonoisotopicMass | 378.941095 |
| CLogP | 4.0238 |
| CLogS | -5.803 |
| H Acceptors | 3 |
| TotalSurfaceArea | 235.35 |
| Relative PSA | 0.1468 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -2.1989 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4Z)-4-[(5-bromo-2-fluorophenyl)methylidene]-2-(4-chlorophenyl)-1,3-oxazol-5-one | 2 - (4Z)-4-[(5-bromo-2-fluorophenyl)methylidene]-2-(4-chlorophenyl)-1,3-oxazol-5-one
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