1-bromo-2-[(E)-2-bromoethenyl]benzene
Formula:C8H6Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-bromo-2-[(E)-2-bromoethenyl]benzene is a drug-like molecule.
| MolName | 1-bromo-2-[(E)-2-bromoethenyl]benzene |
| MolecularFormula | C8H6Br2 |
| Smiles | Br/C=C/c(cccc1)c1Br |
| InChI | InChI=1S/C8H6Br2/c9-6-5-7-3-1-2-4-8(7)10/h1-6H |
| InChIK | QVAATRYVCKQWLN-UHFFFAOYSA-N |
| TotalMolweight | 261.944 |
| Molweight | 261.944 |
| MonoisotopicMass | 259.883622 |
| CLogP | 3.342 |
| CLogS | -3.805 |
| TotalSurfaceArea | 137.02 |
| Druglikeness | -3.61 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| StereoCon |
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