| MolName | 4-[(E)-3-[4-(2,5-dichlorophenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine |
| MolecularFormula | C19H15NO2Cl2F4 |
| Smiles | Fc(c(/C=C/CN1CCOCC1)c(c(F)c1Oc(cc(cc2)Cl)c2Cl)F)c1F |
| InChI | InChI=1S/C19H15Cl2F4NO2/c20-11-3-4-13(21)14(10-11)28-19-17(24)15(22)12(16(23)18(19)25)2-1-5-26-6-8-27-9-7-26/h1-4,10H,5-9H2 |
| InChIK | MIDXTKZWZCQVSG-UHFFFAOYSA-N |
| TotalMolweight | 436.231 |
| Molweight | 436.231 |
| MonoisotopicMass | 435.041595 |
| CLogP | 5.0235 |
| CLogS | -6.739 |
| H Acceptors | 3 |
| TotalSurfaceArea | 301.36 |
| Relative PSA | 0.078146 |
| PolarSurfaceArea | 21.7 |
| Druglikeness | 0.19168 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-(2,5-dichlorophenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine | 2 - 4-[(E)-3-[4-(2,5-dichlorophenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine