(E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one
Formula:C20H17NO3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one |
| MolecularFormula | C20H17NO3ClF3 |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)N1CC(COc(cc(cc2)F)c2F)OCC1 |
| InChI | InChI=1S/C20H17ClF3NO3/c21-16-2-1-3-17(23)15(16)5-7-20(26)25-8-9-27-14(11-25)12-28-19-10-13(22)4-6-18(19)24/h1-7,10,14H,8-9,11-12H2/t14-/m1/s1 |
| InChIK | CXLNUTAWQYOYSG-CQSZACIVSA-N |
| TotalMolweight | 411.806 |
| Molweight | 411.806 |
| MonoisotopicMass | 411.084905 |
| CLogP | 3.9149 |
| CLogS | -4.702 |
| H Acceptors | 4 |
| TotalSurfaceArea | 296.08 |
| Relative PSA | 0.12358 |
| PolarSurfaceArea | 38.77 |
| Druglikeness | 1.7202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one
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