(E)-4,4,5,5,6,6,7,7-octafluoro-1-phenylhept-2-en-1-one
Formula:C13H8OF8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,4,5,5,6,6,7,7-octafluoro-1-phenylhept-2-en-1-one is a drug-like molecule.
| MolName | (E)-4,4,5,5,6,6,7,7-octafluoro-1-phenylhept-2-en-1-one |
| MolecularFormula | C13H8OF8 |
| Smiles | O=C(/C=C/C(C(C(C(F)F)(F)F)(F)F)(F)F)c1ccccc1 |
| InChI | InChI=1S/C13H8F8O/c14-10(15)12(18,19)13(20,21)11(16,17)7-6-9(22)8-4-2-1-3-5-8/h1-7,10H |
| InChIK | BCBQUHNJLALFTN-UHFFFAOYSA-N |
| TotalMolweight | 332.19 |
| Molweight | 332.19 |
| MonoisotopicMass | 332.044739 |
| CLogP | 4.0822 |
| CLogS | -5.237 |
| H Acceptors | 1 |
| TotalSurfaceArea | 212.04 |
| Relative PSA | 0.061498 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -44.429 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (E)-4,4,5,5,6,6,7,7-octafluoro-1-phenylhept-2-en-1-one | 2 - (E)-4,4,5,5,6,6,7,7-octafluoro-1-phenylhept-2-en-1-one
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