| MolName | (4Z)-4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one |
| MolecularFormula | C14H8NO3I |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C\c(o1)ccc1I |
| InChI | InChI=1S/C14H8INO3/c15-12-7-6-10(18-12)8-11-14(17)19-13(16-11)9-4-2-1-3-5-9/h1-8H |
| InChIK | YAMTUTBGEQJVPQ-UHFFFAOYSA-N |
| TotalMolweight | 365.122 |
| Molweight | 365.122 |
| MonoisotopicMass | 364.954892 |
| CLogP | 2.315 |
| CLogS | -4.38 |
| H Acceptors | 4 |
| TotalSurfaceArea | 210.92 |
| Relative PSA | 0.2307 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | 2.4044 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one | 2 - (4Z)-4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one