(E)-3-[(E)-3-oxo-3-phenylprop-1-enoxy]-1-phenylprop-2-en-1-one
Formula:C18H14O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[(E)-3-oxo-3-phenylprop-1-enoxy]-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[(E)-3-oxo-3-phenylprop-1-enoxy]-1-phenylprop-2-en-1-one |
| MolecularFormula | C18H14O3 |
| Smiles | O=C(/C=C/O/C=C/C(c1ccccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C18H14O3/c19-17(15-7-3-1-4-8-15)11-13-21-14-12-18(20)16-9-5-2-6-10-16/h1-14H |
| InChIK | LWJKKDKGPYSADF-UHFFFAOYSA-N |
| TotalMolweight | 278.306 |
| Molweight | 278.306 |
| MonoisotopicMass | 278.094295 |
| CLogP | 2.4079 |
| CLogS | -4.525 |
| H Acceptors | 3 |
| TotalSurfaceArea | 231.52 |
| Relative PSA | 0.15584 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -0.6475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 12 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[(E)-3-oxo-3-phenylprop-1-enoxy]-1-phenylprop-2-en-1-one | 2 - (E)-3-[(E)-3-oxo-3-phenylprop-1-enoxy]-1-phenylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off