(4Z)-4-[(4-bromophenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
Formula:C22H14NO2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-bromophenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(4-bromophenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one |
| MolecularFormula | C22H14NO2Br |
| Smiles | O=C1OC(c(cc2)ccc2-c2ccccc2)=N/C1=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C22H14BrNO2/c23-19-12-6-15(7-13-19)14-20-22(25)26-21(24-20)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-14H |
| InChIK | UEDRTHHJIUJWJY-UHFFFAOYSA-N |
| TotalMolweight | 404.262 |
| Molweight | 404.262 |
| MonoisotopicMass | 403.02079 |
| CLogP | 4.9762 |
| CLogS | -6.839 |
| H Acceptors | 3 |
| TotalSurfaceArea | 273.34 |
| Relative PSA | 0.1264 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.95291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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