(2Z,6S)-2-benzylidene-6-(2,2,2-trifluoroacetyl)cyclohexan-1-one
Formula:C15H13O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,6S)-2-benzylidene-6-(2,2,2-trifluoroacetyl)cyclohexan-1-one is a drug-like molecule.
| MolName | (2Z,6S)-2-benzylidene-6-(2,2,2-trifluoroacetyl)cyclohexan-1-one |
| MolecularFormula | C15H13O2F3 |
| Smiles | O=C([C@@H](CCC/C1=C/c2ccccc2)C1=O)C(F)(F)F |
| InChI | InChI=1S/C15H13F3O2/c16-15(17,18)14(20)12-8-4-7-11(13(12)19)9-10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8H2/t12-/m0/s1 |
| InChIK | SGWBMTTZEOAUDY-LBPRGKRZSA-N |
| TotalMolweight | 282.26 |
| Molweight | 282.26 |
| MonoisotopicMass | 282.086764 |
| CLogP | 3.2458 |
| CLogS | -4.018 |
| H Acceptors | 2 |
| TotalSurfaceArea | 203.21 |
| Relative PSA | 0.12834 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | -35.087 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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