(E)-1,1-difluoro-6-thiophen-2-ylhex-5-ene-2,4-dione
Formula:C10H8O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,1-difluoro-6-thiophen-2-ylhex-5-ene-2,4-dione is a drug-like molecule.
| MolName | (E)-1,1-difluoro-6-thiophen-2-ylhex-5-ene-2,4-dione |
| MolecularFormula | C10H8O2F2S |
| Smiles | O=C(CC(/C=C/c1cccs1)=O)C(F)F |
| InChI | InChI=1S/C10H8F2O2S/c11-10(12)9(14)6-7(13)3-4-8-2-1-5-15-8/h1-5,10H,6H2 |
| InChIK | TWKGUONFUKNOOM-UHFFFAOYSA-N |
| TotalMolweight | 230.234 |
| Molweight | 230.234 |
| MonoisotopicMass | 230.021306 |
| CLogP | 1.6418 |
| CLogS | -3.119 |
| H Acceptors | 2 |
| TotalSurfaceArea | 170.16 |
| Relative PSA | 0.27292 |
| PolarSurfaceArea | 62.38 |
| Druglikeness | -10.725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| StereoCon |
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