(E)-3-[2-(difluoromethoxy)phenyl]-1-naphthalen-2-ylprop-2-en-1-one
Formula:C20H14O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-(difluoromethoxy)phenyl]-1-naphthalen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[2-(difluoromethoxy)phenyl]-1-naphthalen-2-ylprop-2-en-1-one |
| MolecularFormula | C20H14O2F2 |
| Smiles | O=C(/C=C/c(cccc1)c1OC(F)F)c1cc2ccccc2cc1 |
| InChI | InChI=1S/C20H14F2O2/c21-20(22)24-19-8-4-3-6-15(19)11-12-18(23)17-10-9-14-5-1-2-7-16(14)13-17/h1-13,20H |
| InChIK | UBORQDHOBCHTCE-UHFFFAOYSA-N |
| TotalMolweight | 324.325 |
| Molweight | 324.325 |
| MonoisotopicMass | 324.096186 |
| CLogP | 4.6676 |
| CLogS | -6.068 |
| H Acceptors | 2 |
| TotalSurfaceArea | 247.07 |
| Relative PSA | 0.093253 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -2.575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[2-(difluoromethoxy)phenyl]-1-naphthalen-2-ylprop-2-en-1-one | 2 - (E)-3-[2-(difluoromethoxy)phenyl]-1-naphthalen-2-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off