(3E)-3-[(3,4-dichlorophenyl)methylidene]oxolan-2-one
Formula:C11H8O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(3,4-dichlorophenyl)methylidene]oxolan-2-one is a drug-like molecule.
| MolName | (3E)-3-[(3,4-dichlorophenyl)methylidene]oxolan-2-one |
| MolecularFormula | C11H8O2Cl2 |
| Smiles | O=C1OCC/C1=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C11H8Cl2O2/c12-9-2-1-7(6-10(9)13)5-8-3-4-15-11(8)14/h1-2,5-6H,3-4H2 |
| InChIK | GXAOMEIKLWDKJM-UHFFFAOYSA-N |
| TotalMolweight | 243.089 |
| Molweight | 243.089 |
| MonoisotopicMass | 241.990134 |
| CLogP | 2.939 |
| CLogS | -3.839 |
| H Acceptors | 2 |
| TotalSurfaceArea | 170.58 |
| Relative PSA | 0.13507 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | 0.41096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - (3E)-3-[(3,4-dichlorophenyl)methylidene]oxolan-2-one | 2 - (3E)-3-[(3,4-dichlorophenyl)methylidene]oxolan-2-one
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