4-[(E)-3-[4-(2-chlorophenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
Formula:C19H16NO2ClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-3-[4-(2-chlorophenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine is a drug-like molecule.
| MolName | 4-[(E)-3-[4-(2-chlorophenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine |
| MolecularFormula | C19H16NO2ClF4 |
| Smiles | Fc(c(/C=C/CN1CCOCC1)c(c(F)c1Oc(cccc2)c2Cl)F)c1F |
| InChI | InChI=1S/C19H16ClF4NO2/c20-13-5-1-2-6-14(13)27-19-17(23)15(21)12(16(22)18(19)24)4-3-7-25-8-10-26-11-9-25/h1-6H,7-11H2 |
| InChIK | QGZIAOBYDWGXNY-UHFFFAOYSA-N |
| TotalMolweight | 401.786 |
| Molweight | 401.786 |
| MonoisotopicMass | 401.080568 |
| CLogP | 4.4175 |
| CLogS | -6.003 |
| H Acceptors | 3 |
| TotalSurfaceArea | 285.94 |
| Relative PSA | 0.08236 |
| PolarSurfaceArea | 21.7 |
| Druglikeness | 0.19168 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[(E)-3-[4-(2-chlorophenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine | 2 - 4-[(E)-3-[4-(2-chlorophenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
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