(4Z)-4-[(4-bromophenyl)methylidene]-2-(3-iodophenyl)-1,3-oxazol-5-one
Formula:C16H9NO2BrI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-bromophenyl)methylidene]-2-(3-iodophenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(4-bromophenyl)methylidene]-2-(3-iodophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C16H9NO2BrI |
| Smiles | O=C1OC(c2cccc(I)c2)=N/C1=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C16H9BrINO2/c17-12-6-4-10(5-7-12)8-14-16(20)21-15(19-14)11-2-1-3-13(18)9-11/h1-9H |
| InChIK | YDGOJLSTVYGZIU-UHFFFAOYSA-N |
| TotalMolweight | 454.056 |
| Molweight | 454.056 |
| MonoisotopicMass | 452.886138 |
| CLogP | 3.7541 |
| CLogS | -5.769 |
| H Acceptors | 3 |
| TotalSurfaceArea | 239.86 |
| Relative PSA | 0.14404 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.38182 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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