| MolName | (4Z)-4-[(2-fluorophenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one |
| MolecularFormula | C18H12NO2F |
| Smiles | O=C1OC(/C=C/c2ccccc2)=N/C1=C\c(cccc1)c1F |
| InChI | InChI=1S/C18H12FNO2/c19-15-9-5-4-8-14(15)12-16-18(21)22-17(20-16)11-10-13-6-2-1-3-7-13/h1-12H |
| InChIK | MORLMODJVARNGG-UHFFFAOYSA-N |
| TotalMolweight | 293.296 |
| Molweight | 293.296 |
| MonoisotopicMass | 293.085207 |
| CLogP | 3.0471 |
| CLogS | -4.603 |
| H Acceptors | 3 |
| TotalSurfaceArea | 227.8 |
| Relative PSA | 0.15167 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.43777 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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-[(2-fluorophenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one | 2 - (4Z)-4-[(2-fluorophenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one