(E)-1-bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene
Formula:C8H2BrF13
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene is not a drug-like molecule.
| MolName | (E)-1-bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene |
| MolecularFormula | C8H2BrF13 |
| Smiles | FC(C(C(F)(F)F)(C(F)(F)F)/C=C/Br)(C(C(F)(F)F)(F)F)F |
| InChI | InChI=1S/C8H2BrF13/c9-2-1-3(6(14,15)16,7(17,18)19)4(10,11)5(12,13)8(20,21)22/h1-2H |
| InChIK | KVLSPRHWDKLGCE-UHFFFAOYSA-N |
| TotalMolweight | 424.982 |
| Molweight | 424.982 |
| MonoisotopicMass | 423.913225 |
| CLogP | 5.6098 |
| CLogS | -6.006 |
| TotalSurfaceArea | 203.64 |
| Druglikeness | -71.982 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.36364 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - (E)-1-bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene | 2 - (E)-1-bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene
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