(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one
Formula:C15H8O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one is a drug-like molecule.
| MolName | (3E)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one |
| MolecularFormula | C15H8O2Cl2 |
| Smiles | O=C(c1c2cccc1)O/C2=C/c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H8Cl2O2/c16-10-6-5-9(13(17)8-10)7-14-11-3-1-2-4-12(11)15(18)19-14/h1-8H |
| InChIK | XWYTUWSFVINSSY-UHFFFAOYSA-N |
| TotalMolweight | 291.133 |
| Molweight | 291.133 |
| MonoisotopicMass | 289.990134 |
| CLogP | 4.5225 |
| CLogS | -5.251 |
| H Acceptors | 2 |
| TotalSurfaceArea | 202.82 |
| Relative PSA | 0.1136 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -0.89496 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (3E)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one | 2 - (3E)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one
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