[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-chlorobenzoate
Formula:C22H11O4Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-chlorobenzoate |
| MolecularFormula | C22H11O4Cl2F |
| Smiles | O=C(c(cccc1)c1Cl)Oc(cc1)cc(O/C2=C\c(c(F)ccc3)c3Cl)c1C2=O |
| InChI | InChI=1S/C22H11Cl2FO4/c23-16-5-2-1-4-13(16)22(27)28-12-8-9-14-19(10-12)29-20(21(14)26)11-15-17(24)6-3-7-18(15)25/h1-11H |
| InChIK | YWMSGJZBEPEUPC-UHFFFAOYSA-N |
| TotalMolweight | 429.229 |
| Molweight | 429.229 |
| MonoisotopicMass | 428.001842 |
| CLogP | 6.0619 |
| CLogS | -7.398 |
| H Acceptors | 4 |
| TotalSurfaceArea | 296.68 |
| Relative PSA | 0.15532 |
| PolarSurfaceArea | 52.6 |
| Druglikeness | -1.3391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| 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 |
| StereoCon |
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1 - [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-chlorobenzoate | 2 - [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-chlorobenzoate
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