(4E)-4-[(5-bromo-2-fluorophenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
Formula:C16H8NO2BrF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(5-bromo-2-fluorophenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-4-[(5-bromo-2-fluorophenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C16H8NO2BrF2 |
| Smiles | O=C1OC(c(cccc2)c2F)=N/C1=C/c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C16H8BrF2NO2/c17-10-5-6-12(18)9(7-10)8-14-16(21)22-15(20-14)11-3-1-2-4-13(11)19/h1-8H |
| InChIK | JIQJSNAERNNZLN-UHFFFAOYSA-N |
| TotalMolweight | 364.145 |
| Molweight | 364.145 |
| MonoisotopicMass | 362.970646 |
| CLogP | 3.5186 |
| CLogS | -5.381 |
| H Acceptors | 3 |
| TotalSurfaceArea | 226.28 |
| Relative PSA | 0.15269 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -2.2929 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| 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 |
| StereoCon |
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1 - (4E)-4-[(5-bromo-2-fluorophenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one | 2 - (4E)-4-[(5-bromo-2-fluorophenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
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