2-[(2,5-difluorophenoxy)methyl]-4-[(E)-2-phenylethenyl]sulfonylmorpholine
Formula:C19H19NO4F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2,5-difluorophenoxy)methyl]-4-[(E)-2-phenylethenyl]sulfonylmorpholine is a drug-like molecule.
| MolName | 2-[(2,5-difluorophenoxy)methyl]-4-[(E)-2-phenylethenyl]sulfonylmorpholine |
| MolecularFormula | C19H19NO4F2S |
| Smiles | O=S(/C=C/c1ccccc1)(N1CC(COc(cc(cc2)F)c2F)OCC1)=O |
| InChI | InChI=1S/C19H19F2NO4S/c20-16-6-7-18(21)19(12-16)26-14-17-13-22(9-10-25-17)27(23,24)11-8-15-4-2-1-3-5-15/h1-8,11-12,17H,9-10,13-14H2/t17-/m1/s1 |
| InChIK | YSPVUJGGQWIZCL-QGZVFWFLSA-N |
| TotalMolweight | 395.425 |
| Molweight | 395.425 |
| MonoisotopicMass | 395.100285 |
| CLogP | 2.7733 |
| CLogS | -4.208 |
| H Acceptors | 5 |
| TotalSurfaceArea | 285.14 |
| Relative PSA | 0.18282 |
| PolarSurfaceArea | 64.22 |
| Druglikeness | -1.6722 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
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1 - 2-[(2,5-difluorophenoxy)methyl]-4-[(E)-2-phenylethenyl]sulfonylmorpholine | 2 - 2-[(2,5-difluorophenoxy)methyl]-4-[(E)-2-phenylethenyl]sulfonylmorpholine
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