(E)-3-[4-(difluoromethoxy)phenyl]-1-(9H-fluoren-3-yl)prop-2-en-1-one
Formula:C23H16O2F2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[4-(difluoromethoxy)phenyl]-1-(9H-fluoren-3-yl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[4-(difluoromethoxy)phenyl]-1-(9H-fluoren-3-yl)prop-2-en-1-one |
| MolecularFormula | C23H16O2F2 |
| Smiles | O=C(/C=C/c(cc1)ccc1OC(F)F)c1cc(-c2c(C3)cccc2)c3cc1 |
| InChI | InChI=1S/C23H16F2O2/c24-23(25)27-19-10-5-15(6-11-19)7-12-22(26)18-9-8-17-13-16-3-1-2-4-20(16)21(17)14-18/h1-12,14,23H,13H2 |
| InChIK | MLUSUYMYEYUXKY-UHFFFAOYSA-N |
| TotalMolweight | 362.374 |
| Molweight | 362.374 |
| MonoisotopicMass | 362.111836 |
| CLogP | 5.4915 |
| CLogS | -7.173 |
| H Acceptors | 2 |
| TotalSurfaceArea | 272.49 |
| Relative PSA | 0.084554 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -2.6609 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[4-(difluoromethoxy)phenyl]-1-(9H-fluoren-3-yl)prop-2-en-1-one | 2 - (E)-3-[4-(difluoromethoxy)phenyl]-1-(9H-fluoren-3-yl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off