(4E)-4-[(2-bromophenyl)methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5-one
Formula:C16H8NO2BrClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(2-bromophenyl)methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-4-[(2-bromophenyl)methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C16H8NO2BrClI |
| Smiles | O=C1OC(c(cc(cc2)I)c2Cl)=N/C1=C/c(cccc1)c1Br |
| InChI | InChI=1S/C16H8BrClINO2/c17-12-4-2-1-3-9(12)7-14-16(21)22-15(20-14)11-8-10(19)5-6-13(11)18/h1-8H |
| InChIK | YDVIPKRFAUNSRT-UHFFFAOYSA-N |
| TotalMolweight | 488.502 |
| Molweight | 488.502 |
| MonoisotopicMass | 486.847165 |
| CLogP | 4.3601 |
| CLogS | -6.505 |
| H Acceptors | 3 |
| TotalSurfaceArea | 255.28 |
| Relative PSA | 0.13534 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.29558 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (4E)-4-[(2-bromophenyl)methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5-one | 2 - (4E)-4-[(2-bromophenyl)methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5-one
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