(E)-6,6,7,7,8,8,9,9-octafluoro-1-thiophen-2-ylnon-1-ene-3,5-dione
Formula:C13H8O2F8S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-6,6,7,7,8,8,9,9-octafluoro-1-thiophen-2-ylnon-1-ene-3,5-dione is a drug-like molecule.
| MolName | (E)-6,6,7,7,8,8,9,9-octafluoro-1-thiophen-2-ylnon-1-ene-3,5-dione |
| MolecularFormula | C13H8O2F8S |
| Smiles | O=C(CC(/C=C/c1cccs1)=O)C(C(C(C(F)F)(F)F)(F)F)(F)F |
| InChI | InChI=1S/C13H8F8O2S/c14-10(15)12(18,19)13(20,21)11(16,17)9(23)6-7(22)3-4-8-2-1-5-24-8/h1-5,10H,6H2 |
| InChIK | OPHQMIFMWJFRSG-UHFFFAOYSA-N |
| TotalMolweight | 380.255 |
| Molweight | 380.255 |
| MonoisotopicMass | 380.011724 |
| CLogP | 3.7688 |
| CLogS | -5.273 |
| H Acceptors | 2 |
| TotalSurfaceArea | 239.49 |
| Relative PSA | 0.19391 |
| PolarSurfaceArea | 62.38 |
| Druglikeness | -74.054 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (E)-6,6,7,7,8,8,9,9-octafluoro-1-thiophen-2-ylnon-1-ene-3,5-dione | 2 - (E)-6,6,7,7,8,8,9,9-octafluoro-1-thiophen-2-ylnon-1-ene-3,5-dione
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