(E)-1,1-difluoro-6-(furan-2-yl)hex-5-ene-2,4-dione
Formula:C10H8O3F2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-1,1-difluoro-6-(furan-2-yl)hex-5-ene-2,4-dione is a drug-like molecule.
| MolName | (E)-1,1-difluoro-6-(furan-2-yl)hex-5-ene-2,4-dione |
| MolecularFormula | C10H8O3F2 |
| Smiles | O=C(CC(/C=C/c1ccco1)=O)C(F)F |
| InChI | InChI=1S/C10H8F2O3/c11-10(12)9(14)6-7(13)3-4-8-2-1-5-15-8/h1-5,10H,6H2 |
| InChIK | HCXRHKBNYQZIMR-UHFFFAOYSA-N |
| TotalMolweight | 214.167 |
| Molweight | 214.167 |
| MonoisotopicMass | 214.044151 |
| CLogP | 0.9639 |
| CLogS | -2.791 |
| H Acceptors | 3 |
| TotalSurfaceArea | 163.91 |
| Relative PSA | 0.2452 |
| PolarSurfaceArea | 47.28 |
| Druglikeness | -12.72 |
| Mutagenic | high |
| 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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