4-[(E)-3-[4-(2,3-dihydro-1H-inden-5-yloxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
Formula:C22H21NO2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-3-[4-(2,3-dihydro-1H-inden-5-yloxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine is a drug-like molecule.
| MolName | 4-[(E)-3-[4-(2,3-dihydro-1H-inden-5-yloxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine |
| MolecularFormula | C22H21NO2F4 |
| Smiles | Fc(c(F)c1Oc2cc(CCC3)c3cc2)c(/C=C/CN2CCOCC2)c(F)c1F |
| InChI | InChI=1S/C22H21F4NO2/c23-18-17(5-2-8-27-9-11-28-12-10-27)19(24)21(26)22(20(18)25)29-16-7-6-14-3-1-4-15(14)13-16/h2,5-7,13H,1,3-4,8-12H2 |
| InChIK | MTAFPNZFFNPIOR-UHFFFAOYSA-N |
| TotalMolweight | 407.406 |
| Molweight | 407.406 |
| MonoisotopicMass | 407.150841 |
| CLogP | 4.6263 |
| CLogS | -6.089 |
| H Acceptors | 3 |
| TotalSurfaceArea | 298.3 |
| Relative PSA | 0.078947 |
| PolarSurfaceArea | 21.7 |
| Druglikeness | -2.8812 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(E)-3-[4-(2,3-dihydro-1H-inden-5-yloxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine | 2 - 4-[(E)-3-[4-(2,3-dihydro-1H-inden-5-yloxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off