(E)-3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-2-en-1-one
Formula:C29H25NO2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-2-en-1-one |
| MolecularFormula | C29H25NO2F6 |
| Smiles | O=C(/C=C/c1cc(OCc2ccc(C(F)(F)F)cc2)ccc1)N(CC1)CCC1c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C29H25F6NO2/c30-28(31,32)24-10-7-21(8-11-24)19-38-26-6-1-3-20(17-26)9-12-27(37)36-15-13-22(14-16-36)23-4-2-5-25(18-23)29(33,34)35/h1-12,17-18,22H,13-16,19H2 |
| InChIK | GCDYSZMWLDMDJL-UHFFFAOYSA-N |
| TotalMolweight | 533.511 |
| Molweight | 533.511 |
| MonoisotopicMass | 533.178947 |
| CLogP | 7.6162 |
| CLogS | -6.715 |
| H Acceptors | 3 |
| TotalSurfaceArea | 384.05 |
| Relative PSA | 0.069236 |
| PolarSurfaceArea | 29.54 |
| Druglikeness | -4.6367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60526 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-2-en-1-one | 2 - (E)-3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-2-en-1-one
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