(E)-4-(2,6-dichlorophenyl)-4-oxobut-2-enamide
Formula:C10H7NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(2,6-dichlorophenyl)-4-oxobut-2-enamide is a drug-like molecule.
| MolName | (E)-4-(2,6-dichlorophenyl)-4-oxobut-2-enamide |
| MolecularFormula | C10H7NO2Cl2 |
| Smiles | NC(/C=C/C(c(c(Cl)ccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C10H7Cl2NO2/c11-6-2-1-3-7(12)10(6)8(14)4-5-9(13)15/h1-5H,(H2,13,15) |
| InChIK | ZYIKIIOWBLFSTC-UHFFFAOYSA-N |
| TotalMolweight | 244.077 |
| Molweight | 244.077 |
| MonoisotopicMass | 242.985383 |
| CLogP | 1.7253 |
| CLogS | -3.635 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 174.62 |
| Relative PSA | 0.2368 |
| PolarSurfaceArea | 60.16 |
| Druglikeness | -0.096601 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (E)-4-(2,6-dichlorophenyl)-4-oxobut-2-enamide | 2 - (E)-4-(2,6-dichlorophenyl)-4-oxobut-2-enamide
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