| MolName | (4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one |
| MolecularFormula | C25H15NO4 |
| Smiles | O=C1OC(c(cc2)ccc2-c2ccccc2)=N/C1=C\C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C25H15NO4/c27-23-19(15-29-22-9-5-4-8-20(22)23)14-21-25(28)30-24(26-21)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-15H |
| InChIK | VNAPSQLMZNLFHB-UHFFFAOYSA-N |
| TotalMolweight | 393.397 |
| Molweight | 393.397 |
| MonoisotopicMass | 393.100109 |
| CLogP | 4.0067 |
| CLogS | -6.575 |
| H Acceptors | 5 |
| TotalSurfaceArea | 293.67 |
| Relative PSA | 0.1961 |
| PolarSurfaceArea | 64.96 |
| Druglikeness | 1.6142 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one | 2 - (4Z)-4-[(4-oxochromen-3-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one