(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
Formula:C23H16NO3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one is not a drug-like molecule.
| MolName | (4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one |
| MolecularFormula | C23H16NO3Br |
| Smiles | O=C(/C1=C\c(cc2)ccc2OCc(cc2)ccc2Br)ON=C1c1ccccc1 |
| InChI | InChI=1S/C23H16BrNO3/c24-19-10-6-17(7-11-19)15-27-20-12-8-16(9-13-20)14-21-22(25-28-23(21)26)18-4-2-1-3-5-18/h1-14H,15H2 |
| InChIK | DWSVNSQDALKEOT-UHFFFAOYSA-N |
| TotalMolweight | 434.288 |
| Molweight | 434.288 |
| MonoisotopicMass | 433.031355 |
| CLogP | 5.864 |
| CLogS | -6.346 |
| H Acceptors | 4 |
| TotalSurfaceArea | 297.1 |
| Relative PSA | 0.14995 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -3.2572 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one | 2 - (4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
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