[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzoate
Formula:C22H11O4BrClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzoate is not a drug-like molecule.
| MolName | [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzoate |
| MolecularFormula | C22H11O4BrClF |
| Smiles | O=C(c(cc1)ccc1Br)Oc(cc1)cc(O/C2=C\c(c(F)ccc3)c3Cl)c1C2=O |
| InChI | InChI=1S/C22H11BrClFO4/c23-13-6-4-12(5-7-13)22(27)28-14-8-9-15-19(10-14)29-20(21(15)26)11-16-17(24)2-1-3-18(16)25/h1-11H |
| InChIK | LFBMSXWAEGOYKL-UHFFFAOYSA-N |
| TotalMolweight | 473.68 |
| Molweight | 473.68 |
| MonoisotopicMass | 471.951326 |
| CLogP | 6.1811 |
| CLogS | -7.496 |
| H Acceptors | 4 |
| TotalSurfaceArea | 299.89 |
| Relative PSA | 0.15366 |
| PolarSurfaceArea | 52.6 |
| Druglikeness | -3.1291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzoate | 2 - [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzoate
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