(E)-1-morpholin-4-yl-3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-en-1-one
Formula:C21H20NO3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-morpholin-4-yl-3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-morpholin-4-yl-3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-en-1-one |
| MolecularFormula | C21H20NO3F3 |
| Smiles | O=C(/C=C/c1cccc(OCc2ccc(C(F)(F)F)cc2)c1)N1CCOCC1 |
| InChI | InChI=1S/C21H20F3NO3/c22-21(23,24)18-7-4-17(5-8-18)15-28-19-3-1-2-16(14-19)6-9-20(26)25-10-12-27-13-11-25/h1-9,14H,10-13,15H2 |
| InChIK | XNIHQTQMUHTDQQ-UHFFFAOYSA-N |
| TotalMolweight | 391.388 |
| Molweight | 391.388 |
| MonoisotopicMass | 391.139528 |
| CLogP | 3.8595 |
| CLogS | -3.815 |
| H Acceptors | 4 |
| TotalSurfaceArea | 292.33 |
| Relative PSA | 0.12517 |
| PolarSurfaceArea | 38.77 |
| Druglikeness | -5.5932 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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