(Z)-4,4,5,5-tetrafluoro-1-hydroxy-1-phenylpent-1-en-3-one
Formula:C11H8O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4,4,5,5-tetrafluoro-1-hydroxy-1-phenylpent-1-en-3-one is a drug-like molecule.
| MolName | (Z)-4,4,5,5-tetrafluoro-1-hydroxy-1-phenylpent-1-en-3-one |
| MolecularFormula | C11H8O2F4 |
| Smiles | O/C(/c1ccccc1)=C\C(C(C(F)F)(F)F)=O |
| InChI | InChI=1S/C11H8F4O2/c12-10(13)11(14,15)9(17)6-8(16)7-4-2-1-3-5-7/h1-6,10,16H |
| InChIK | QVGPFRYKFAEGGF-UHFFFAOYSA-N |
| TotalMolweight | 248.175 |
| Molweight | 248.175 |
| MonoisotopicMass | 248.046042 |
| CLogP | 1.9233 |
| CLogS | -3.168 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 170.38 |
| Relative PSA | 0.15342 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -25.257 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (Z)-4,4,5,5-tetrafluoro-1-hydroxy-1-phenylpent-1-en-3-one | 2 - (Z)-4,4,5,5-tetrafluoro-1-hydroxy-1-phenylpent-1-en-3-one
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