(3E)-3-[(2-amino-4,5-dichlorophenyl)methylidene]oxolan-2-one
Formula:C11H9NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(2-amino-4,5-dichlorophenyl)methylidene]oxolan-2-one is a drug-like molecule.
| MolName | (3E)-3-[(2-amino-4,5-dichlorophenyl)methylidene]oxolan-2-one |
| MolecularFormula | C11H9NO2Cl2 |
| Smiles | Nc(c(/C=C(\CCO1)/C1=O)c1)cc(Cl)c1Cl |
| InChI | InChI=1S/C11H9Cl2NO2/c12-8-4-7(10(14)5-9(8)13)3-6-1-2-16-11(6)15/h3-5H,1-2,14H2 |
| InChIK | ILNUBRZJHSPGMZ-UHFFFAOYSA-N |
| TotalMolweight | 258.103 |
| Molweight | 258.103 |
| MonoisotopicMass | 257.001033 |
| CLogP | 2.2617 |
| CLogS | -3.915 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 179.1 |
| Relative PSA | 0.2139 |
| PolarSurfaceArea | 52.32 |
| Druglikeness | 0.61393 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (3E)-3-[(2-amino-4,5-dichlorophenyl)methylidene]oxolan-2-one | 2 - (3E)-3-[(2-amino-4,5-dichlorophenyl)methylidene]oxolan-2-one
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