(E)-1,1,1-trifluoro-6-(furan-2-yl)hex-5-ene-2,4-dione
Formula:C10H7O3F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-1,1,1-trifluoro-6-(furan-2-yl)hex-5-ene-2,4-dione is a drug-like molecule.
| MolName | (E)-1,1,1-trifluoro-6-(furan-2-yl)hex-5-ene-2,4-dione |
| MolecularFormula | C10H7O3F3 |
| Smiles | O=C(CC(/C=C/c1ccco1)=O)C(F)(F)F |
| InChI | InChI=1S/C10H7F3O3/c11-10(12,13)9(15)6-7(14)3-4-8-2-1-5-16-8/h1-5H,6H2 |
| InChIK | RKAWLTFMVGLLTJ-UHFFFAOYSA-N |
| TotalMolweight | 232.157 |
| Molweight | 232.157 |
| MonoisotopicMass | 232.034729 |
| CLogP | 1.6804 |
| CLogS | -3.06 |
| H Acceptors | 3 |
| TotalSurfaceArea | 168.17 |
| Relative PSA | 0.23898 |
| PolarSurfaceArea | 47.28 |
| Druglikeness | -44.02 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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