(4Z)-4-[[5-(2-bromophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one
Formula:C20H12NO3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4Z)-4-[[5-(2-bromophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one is not a drug-like molecule.
| MolName | (4Z)-4-[[5-(2-bromophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one |
| MolecularFormula | C20H12NO3Br |
| Smiles | O=C(/C1=C\c2ccc(-c(cccc3)c3Br)o2)ON=C1c1ccccc1 |
| InChI | InChI=1S/C20H12BrNO3/c21-17-9-5-4-8-15(17)18-11-10-14(24-18)12-16-19(22-25-20(16)23)13-6-2-1-3-7-13/h1-12H |
| InChIK | DDWUNFGSRDLHEZ-UHFFFAOYSA-N |
| TotalMolweight | 394.223 |
| Molweight | 394.223 |
| MonoisotopicMass | 393.000055 |
| CLogP | 5.4548 |
| CLogS | -6.465 |
| H Acceptors | 4 |
| TotalSurfaceArea | 263.03 |
| Relative PSA | 0.185 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | -2.0594 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4Z)-4-[[5-(2-bromophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one | 2 - (4Z)-4-[[5-(2-bromophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one
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