2-[[(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide
Formula:C17H11NO4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide is a drug-like molecule.
| MolName | 2-[[(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide |
| MolecularFormula | C17H11NO4Cl2 |
| Smiles | NC(COc(cc1)cc(O/C2=C\c(ccc(Cl)c3)c3Cl)c1C2=O)=O |
| InChI | InChI=1S/C17H11Cl2NO4/c18-10-2-1-9(13(19)6-10)5-15-17(22)12-4-3-11(7-14(12)24-15)23-8-16(20)21/h1-7H,8H2,(H2,20,21) |
| InChIK | HWXOXYJPCCQVRG-UHFFFAOYSA-N |
| TotalMolweight | 364.183 |
| Molweight | 364.183 |
| MonoisotopicMass | 363.006513 |
| CLogP | 3.1928 |
| CLogS | -5.483 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 252.85 |
| Relative PSA | 0.24263 |
| PolarSurfaceArea | 78.62 |
| Druglikeness | 0.99461 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[[(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide | 2 - 2-[[(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide
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