(E)-1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]prop-2-en-1-one
Formula:C20H18NO3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C20H18NO3F |
| Smiles | O=C(/C=C/c(cc1)ccc1C(N1CCOCC1)=O)c(cc1)ccc1F |
| InChI | InChI=1S/C20H18FNO3/c21-18-8-6-16(7-9-18)19(23)10-3-15-1-4-17(5-2-15)20(24)22-11-13-25-14-12-22/h1-10H,11-14H2 |
| InChIK | WPTVYLJSFUQEDK-UHFFFAOYSA-N |
| TotalMolweight | 339.365 |
| Molweight | 339.365 |
| MonoisotopicMass | 339.127072 |
| CLogP | 3.0789 |
| CLogS | -3.864 |
| H Acceptors | 4 |
| TotalSurfaceArea | 263.21 |
| Relative PSA | 0.15056 |
| PolarSurfaceArea | 46.61 |
| Druglikeness | 2.3123 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]prop-2-en-1-one | 2 - (E)-1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off