(4Z)-2-(4-bromophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
Formula:C16H9NO2BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(4-bromophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-(4-bromophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C16H9NO2BrF |
| Smiles | O=C1OC(c(cc2)ccc2Br)=N/C1=C\c(cc1)ccc1F |
| InChI | InChI=1S/C16H9BrFNO2/c17-12-5-3-11(4-6-12)15-19-14(16(20)21-15)9-10-1-7-13(18)8-2-10/h1-9H |
| InChIK | MUUZWDVHDMCGSB-UHFFFAOYSA-N |
| TotalMolweight | 346.154 |
| Molweight | 346.154 |
| MonoisotopicMass | 344.980068 |
| CLogP | 3.4178 |
| CLogS | -5.067 |
| H Acceptors | 3 |
| TotalSurfaceArea | 219.93 |
| Relative PSA | 0.1571 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -2.2929 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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