| MolName | (4Z)-4-[[3-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one |
| MolecularFormula | C24H18NO4Cl |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C\c1cccc(OCCOc(cccc2)c2Cl)c1 |
| InChI | InChI=1S/C24H18ClNO4/c25-20-11-4-5-12-22(20)29-14-13-28-19-10-6-7-17(15-19)16-21-24(27)30-23(26-21)18-8-2-1-3-9-18/h1-12,15-16H,13-14H2 |
| InChIK | JIKAJJBFTJEJCI-UHFFFAOYSA-N |
| TotalMolweight | 419.863 |
| Molweight | 419.863 |
| MonoisotopicMass | 419.092436 |
| CLogP | 4.5528 |
| CLogS | -5.923 |
| H Acceptors | 5 |
| TotalSurfaceArea | 317.65 |
| Relative PSA | 0.17173 |
| PolarSurfaceArea | 57.12 |
| Druglikeness | -6.0745 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4Z)-4-[[3-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one | 2 - (4Z)-4-[[3-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one