(4E)-4-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
Formula:C23H15NO3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-4-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C23H15NO3ClF |
| Smiles | O=C1OC(c2cc(F)ccc2)=N/C1=C/c1cccc(OCc(cccc2)c2Cl)c1 |
| InChI | InChI=1S/C23H15ClFNO3/c24-20-10-2-1-6-17(20)14-28-19-9-3-5-15(11-19)12-21-23(27)29-22(26-21)16-7-4-8-18(25)13-16/h1-13H,14H2 |
| InChIK | YRBUXDIXWVTNHY-UHFFFAOYSA-N |
| TotalMolweight | 407.827 |
| Molweight | 407.827 |
| MonoisotopicMass | 407.072449 |
| CLogP | 4.6467 |
| CLogS | -6.31 |
| H Acceptors | 4 |
| TotalSurfaceArea | 300.24 |
| Relative PSA | 0.14838 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -0.53451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - (4E)-4-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one | 2 - (4E)-4-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
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