[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C24H18O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C24H18O3 |
| Smiles | O=C(/C=C/c(cc1)ccc1OC(/C=C/c1ccccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C24H18O3/c25-23(21-9-5-2-6-10-21)17-13-20-11-15-22(16-12-20)27-24(26)18-14-19-7-3-1-4-8-19/h1-18H |
| InChIK | AQUDAQATXWUGHF-UHFFFAOYSA-N |
| TotalMolweight | 354.404 |
| Molweight | 354.404 |
| MonoisotopicMass | 354.125595 |
| CLogP | 5.0635 |
| CLogS | -5.68 |
| H Acceptors | 3 |
| TotalSurfaceArea | 291.28 |
| Relative PSA | 0.12387 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -2.4152 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off