(E)-6,6,7,7-tetrafluoro-1-thiophen-2-ylhept-1-ene-3,5-dione
Formula:C11H8O2F4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-6,6,7,7-tetrafluoro-1-thiophen-2-ylhept-1-ene-3,5-dione is a drug-like molecule.
| MolName | (E)-6,6,7,7-tetrafluoro-1-thiophen-2-ylhept-1-ene-3,5-dione |
| MolecularFormula | C11H8O2F4S |
| Smiles | O=C(CC(/C=C/c1cccs1)=O)C(C(F)F)(F)F |
| InChI | InChI=1S/C11H8F4O2S/c12-10(13)11(14,15)9(17)6-7(16)3-4-8-2-1-5-18-8/h1-5,10H,6H2 |
| InChIK | DHVPZCGSXPIICP-UHFFFAOYSA-N |
| TotalMolweight | 280.241 |
| Molweight | 280.241 |
| MonoisotopicMass | 280.018112 |
| CLogP | 2.3508 |
| CLogS | -3.837 |
| H Acceptors | 2 |
| TotalSurfaceArea | 193.27 |
| Relative PSA | 0.24029 |
| PolarSurfaceArea | 62.38 |
| Druglikeness | -31.554 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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