(4E)-2-(2-fluorophenyl)-4-[(2-iodophenyl)methylidene]-1,3-oxazol-5-one
Formula:C16H9NO2FI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(2-fluorophenyl)-4-[(2-iodophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(2-fluorophenyl)-4-[(2-iodophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C16H9NO2FI |
| Smiles | O=C1OC(c(cccc2)c2F)=N/C1=C/c(cccc1)c1I |
| InChI | InChI=1S/C16H9FINO2/c17-12-7-3-2-6-11(12)15-19-14(16(20)21-15)9-10-5-1-4-8-13(10)18/h1-9H |
| InChIK | GSDMDJIMKLNAOG-UHFFFAOYSA-N |
| TotalMolweight | 393.15 |
| Molweight | 393.15 |
| MonoisotopicMass | 392.966205 |
| CLogP | 3.1297 |
| CLogS | -5.249 |
| H Acceptors | 3 |
| TotalSurfaceArea | 227.58 |
| Relative PSA | 0.15181 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 0.068177 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| 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 |
| StereoCon |
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1 - (4E)-2-(2-fluorophenyl)-4-[(2-iodophenyl)methylidene]-1,3-oxazol-5-one | 2 - (4E)-2-(2-fluorophenyl)-4-[(2-iodophenyl)methylidene]-1,3-oxazol-5-one
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