(2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
Formula:C22H13O3Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one is not a drug-like molecule.
| MolName | (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one |
| MolecularFormula | C22H13O3Cl2F |
| Smiles | O=C1c(ccc(OCc(cc2)ccc2F)c2)c2O/C1=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C22H13Cl2FO3/c23-18-2-1-3-19(24)17(18)11-21-22(26)16-9-8-15(10-20(16)28-21)27-12-13-4-6-14(25)7-5-13/h1-11H,12H2 |
| InChIK | QOUOZPMWQSQGIX-UHFFFAOYSA-N |
| TotalMolweight | 415.246 |
| Molweight | 415.246 |
| MonoisotopicMass | 414.022577 |
| CLogP | 5.9795 |
| CLogS | -7.269 |
| H Acceptors | 3 |
| TotalSurfaceArea | 292.69 |
| Relative PSA | 0.11288 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -1.384 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one | 2 - (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
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