2-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene
Formula:C15H11BrClF
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
2-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene is not a drug-like molecule.
| MolName | 2-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene |
| MolecularFormula | C15H11BrClF |
| Smiles | Fc1cccc(Cl)c1/C=C/c1ccc(CBr)cc1 |
| InChI | InChI=1S/C15H11BrClF/c16-10-12-6-4-11(5-7-12)8-9-13-14(17)2-1-3-15(13)18/h1-9H,10H2 |
| InChIK | VEZAAMCYMVBLFV-UHFFFAOYSA-N |
| TotalMolweight | 325.607 |
| Molweight | 325.607 |
| MonoisotopicMass | 323.971666 |
| CLogP | 5.2385 |
| CLogS | -6.062 |
| TotalSurfaceArea | 213.68 |
| Druglikeness | -8.5457 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | prim. alkyl-bromide/iodide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene | 2 - 2-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene
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