(E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
Formula:C23H20NO4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one |
| MolecularFormula | C23H20NO4F3 |
| Smiles | C#Cc1cccc(OCC(C2)OCCN2C(/C=C/c2cccc(OC(F)(F)F)c2)=O)c1 |
| InChI | InChI=1S/C23H20F3NO4/c1-2-17-5-3-7-19(13-17)30-16-21-15-27(11-12-29-21)22(28)10-9-18-6-4-8-20(14-18)31-23(24,25)26/h1,3-10,13-14,21H,11-12,15-16H2/t21-/m1/s1 |
| InChIK | JUCMGAUEQBJQCU-OAQYLSRUSA-N |
| TotalMolweight | 431.409 |
| Molweight | 431.409 |
| MonoisotopicMass | 431.134443 |
| CLogP | 4.2067 |
| CLogS | -3.48 |
| H Acceptors | 5 |
| TotalSurfaceArea | 324.88 |
| Relative PSA | 0.14341 |
| PolarSurfaceArea | 48 |
| Druglikeness | -4.9497 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one | 2 - (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
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