(E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C21H17NO3F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C21H17NO3F6 |
| Smiles | O=C(/C=C/c(cc1)c(C(F)(F)F)cc1F)N1CC(COc(cc(cc2)F)c2F)OCC1 |
| InChI | InChI=1S/C21H17F6NO3/c22-14-3-1-13(17(9-14)21(25,26)27)2-6-20(29)28-7-8-30-16(11-28)12-31-19-10-15(23)4-5-18(19)24/h1-6,9-10,16H,7-8,11-12H2/t16-/m1/s1 |
| InChIK | HPFCBQXIJZPFBG-MRXNPFEDSA-N |
| TotalMolweight | 445.358 |
| Molweight | 445.358 |
| MonoisotopicMass | 445.111262 |
| CLogP | 4.1572 |
| CLogS | -4.744 |
| H Acceptors | 4 |
| TotalSurfaceArea | 310.12 |
| Relative PSA | 0.11799 |
| PolarSurfaceArea | 38.77 |
| Druglikeness | -4.1817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-en-1-one | 2 - (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off