(E)-6,6,6-trifluoro-5-hydroxy-1-phenyl-5-(trifluoromethyl)hex-1-en-3-one
Formula:C13H10O2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-6,6,6-trifluoro-5-hydroxy-1-phenyl-5-(trifluoromethyl)hex-1-en-3-one is a drug-like molecule.
| MolName | (E)-6,6,6-trifluoro-5-hydroxy-1-phenyl-5-(trifluoromethyl)hex-1-en-3-one |
| MolecularFormula | C13H10O2F6 |
| Smiles | OC(CC(/C=C/c1ccccc1)=O)(C(F)(F)F)C(F)(F)F |
| InChI | InChI=1S/C13H10F6O2/c14-12(15,16)11(21,13(17,18)19)8-10(20)7-6-9-4-2-1-3-5-9/h1-7,21H,8H2 |
| InChIK | FCNCOWMMRCEONO-UHFFFAOYSA-N |
| TotalMolweight | 312.208 |
| Molweight | 312.208 |
| MonoisotopicMass | 312.058498 |
| CLogP | 3.3878 |
| CLogS | -4.176 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 206.95 |
| Relative PSA | 0.12631 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -17.271 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| StereoCon |
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