1,3,5-tribromo-2-[(E)-2-(2,4,6-tribromophenyl)ethenyl]benzene
Formula:C14H6Br6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
1,3,5-tribromo-2-[(E)-2-(2,4,6-tribromophenyl)ethenyl]benzene is not a drug-like molecule.
| MolName | 1,3,5-tribromo-2-[(E)-2-(2,4,6-tribromophenyl)ethenyl]benzene |
| MolecularFormula | C14H6Br6 |
| Smiles | Brc1cc(Br)c(/C=C/c(c(Br)cc(Br)c2)c2Br)c(Br)c1 |
| InChI | InChI=1S/C14H6Br6/c15-7-3-11(17)9(12(18)4-7)1-2-10-13(19)5-8(16)6-14(10)20/h1-6H |
| InChIK | YDJNASQHGJQUCP-UHFFFAOYSA-N |
| TotalMolweight | 653.626 |
| Molweight | 653.626 |
| MonoisotopicMass | 647.556966 |
| CLogP | 8.2178 |
| CLogS | -8.756 |
| TotalSurfaceArea | 271.3 |
| Druglikeness | -3.5124 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring; polyhalo aromatic ring |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 13 |
| StereoCon |
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