| MolName | (4Z)-4-[[3-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one |
| MolecularFormula | C26H16N2O4 |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C\c1cccc(/C=C2\N=C(c3ccccc3)OC2=O)c1 |
| InChI | InChI=1S/C26H16N2O4/c29-25-21(27-23(31-25)19-10-3-1-4-11-19)15-17-8-7-9-18(14-17)16-22-26(30)32-24(28-22)20-12-5-2-6-13-20/h1-16H |
| InChIK | QCDZCIFYVLYLHL-UHFFFAOYSA-N |
| TotalMolweight | 420.423 |
| Molweight | 420.423 |
| MonoisotopicMass | 420.111008 |
| CLogP | 3.524 |
| CLogS | -6.222 |
| H Acceptors | 6 |
| TotalSurfaceArea | 316.64 |
| Relative PSA | 0.21823 |
| PolarSurfaceArea | 77.32 |
| Druglikeness | 0.83709 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 17 |
| StereoCon |
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1 - (4Z)-4-[[3-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one | 2 - (4Z)-4-[[3-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one