(3E)-5-bromo-5,5-difluoropenta-1,3-diene
Formula:C5H5BrF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-5-bromo-5,5-difluoropenta-1,3-diene is a drug-like molecule.
| MolName | (3E)-5-bromo-5,5-difluoropenta-1,3-diene |
| MolecularFormula | C5H5BrF2 |
| Smiles | C=C/C=C/C(F)(F)Br |
| InChI | InChI=1S/C5H5BrF2/c1-2-3-4-5(6,7)8/h2-4H,1H2 |
| InChIK | QZKMNPPXJMOFFH-UHFFFAOYSA-N |
| TotalMolweight | 182.995 |
| Molweight | 182.995 |
| MonoisotopicMass | 181.954267 |
| CLogP | 2.9993 |
| CLogS | -3.046 |
| TotalSurfaceArea | 106.28 |
| Druglikeness | -14.362 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | sec./tert. alkyl-bromide/iodide |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 8 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - (3E)-5-bromo-5,5-difluoropenta-1,3-diene | 2 - (3E)-5-bromo-5,5-difluoropenta-1,3-diene
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