(5E,7Z,9E)-5,10-dibromobenzo[8]annulene
Formula:C12H8Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5E,7Z,9E)-5,10-dibromobenzo[8]annulene is a drug-like molecule.
| MolName | (5E,7Z,9E)-5,10-dibromobenzo[8]annulene |
| MolecularFormula | C12H8Br2 |
| Smiles | Br/C(/c1c2cccc1)=C/C=C\C=C2\Br |
| InChI | InChI=1S/C12H8Br2/c13-11-7-3-4-8-12(14)10-6-2-1-5-9(10)11/h1-8H |
| InChIK | ZGSFSBVYXMYHQW-UHFFFAOYSA-N |
| TotalMolweight | 312.004 |
| Molweight | 312.004 |
| MonoisotopicMass | 309.899272 |
| CLogP | 4.3396 |
| CLogS | -1.872 |
| TotalSurfaceArea | 172.94 |
| Druglikeness | -5.8473 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - (5E,7Z,9E)-5,10-dibromobenzo[8]annulene | 2 - (5E,7Z,9E)-5,10-dibromobenzo[8]annulene
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