(2Z,5E)-2,5-bis[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
Formula:C21H14OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,5E)-2,5-bis[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one is not a drug-like molecule.
| MolName | (2Z,5E)-2,5-bis[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one |
| MolecularFormula | C21H14OF6 |
| Smiles | O=C(/C(/CC1)=C/c2ccc(C(F)(F)F)cc2)/C1=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C21H14F6O/c22-20(23,24)17-7-1-13(2-8-17)11-15-5-6-16(19(15)28)12-14-3-9-18(10-4-14)21(25,26)27/h1-4,7-12H,5-6H2 |
| InChIK | YEAIIXWGVOJLAH-UHFFFAOYSA-N |
| TotalMolweight | 396.329 |
| Molweight | 396.329 |
| MonoisotopicMass | 396.094883 |
| CLogP | 6.1926 |
| CLogS | -5.876 |
| H Acceptors | 1 |
| TotalSurfaceArea | 273.13 |
| Relative PSA | 0.047743 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -7.434 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon |
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