4-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]morpholine
Formula:C13H12NOF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]morpholine is a drug-like molecule.
| MolName | 4-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]morpholine |
| MolecularFormula | C13H12NOF5 |
| Smiles | Fc(c(/C=C/CN1CCOCC1)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C13H12F5NO/c14-9-8(10(15)12(17)13(18)11(9)16)2-1-3-19-4-6-20-7-5-19/h1-2H,3-7H2 |
| InChIK | OWOOWAPZMCPAHO-UHFFFAOYSA-N |
| TotalMolweight | 293.234 |
| Molweight | 293.234 |
| MonoisotopicMass | 293.083904 |
| CLogP | 2.5167 |
| CLogS | -3.284 |
| H Acceptors | 2 |
| TotalSurfaceArea | 207.11 |
| Relative PSA | 0.065424 |
| PolarSurfaceArea | 12.47 |
| Druglikeness | 0.14945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]morpholine | 2 - 4-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]morpholine
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