| MolName | (4Z)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one |
| MolecularFormula | C27H18NO3Cl |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C\c(c1ccccc1cc1)c1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C27H18ClNO3/c28-23-13-7-5-11-20(23)17-31-25-15-14-18-8-4-6-12-21(18)22(25)16-24-27(30)32-26(29-24)19-9-2-1-3-10-19/h1-16H,17H2 |
| InChIK | AOUDVVZZVHQORK-UHFFFAOYSA-N |
| TotalMolweight | 439.897 |
| Molweight | 439.897 |
| MonoisotopicMass | 439.097521 |
| CLogP | 5.7403 |
| CLogS | -7.602 |
| H Acceptors | 4 |
| TotalSurfaceArea | 328.49 |
| Relative PSA | 0.13562 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | 0.80549 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4Z)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one | 2 - (4Z)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one