(4Z)-4-[(4-bromophenyl)methylidene]-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-1,3-oxazol-5-one
Formula:C18H10NO2BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-bromophenyl)methylidene]-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(4-bromophenyl)methylidene]-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-1,3-oxazol-5-one |
| MolecularFormula | C18H10NO2BrCl2 |
| Smiles | O=C1OC(/C=C/c(cccc2Cl)c2Cl)=N/C1=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C18H10BrCl2NO2/c19-13-7-4-11(5-8-13)10-15-18(23)24-16(22-15)9-6-12-2-1-3-14(20)17(12)21/h1-10H |
| InChIK | NXBPPZQKFYUZGF-UHFFFAOYSA-N |
| TotalMolweight | 423.092 |
| Molweight | 423.092 |
| MonoisotopicMass | 420.927194 |
| CLogP | 4.8835 |
| CLogS | -6.595 |
| H Acceptors | 3 |
| TotalSurfaceArea | 270.92 |
| Relative PSA | 0.12753 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.7938 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4Z)-4-[(4-bromophenyl)methylidene]-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-1,3-oxazol-5-one | 2 - (4Z)-4-[(4-bromophenyl)methylidene]-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-1,3-oxazol-5-one
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