(1E,4E)-1,2,5-triphenylpenta-1,4-dien-3-one
Formula:C23H18O
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(1E,4E)-1,2,5-triphenylpenta-1,4-dien-3-one is not a drug-like molecule.
| MolName | (1E,4E)-1,2,5-triphenylpenta-1,4-dien-3-one |
| MolecularFormula | C23H18O |
| Smiles | O=C(/C=C/c1ccccc1)/C(/c1ccccc1)=C/c1ccccc1 |
| InChI | InChI=1S/C23H18O/c24-23(17-16-19-10-4-1-5-11-19)22(21-14-8-3-9-15-21)18-20-12-6-2-7-13-20/h1-18H |
| InChIK | HLSUQENPAUVYHA-UHFFFAOYSA-N |
| TotalMolweight | 310.395 |
| Molweight | 310.395 |
| MonoisotopicMass | 310.135765 |
| CLogP | 5.2614 |
| CLogS | -4.943 |
| H Acceptors | 1 |
| TotalSurfaceArea | 261.74 |
| Relative PSA | 0.04982 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 1.2484 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - (1E,4E)-1,2,5-triphenylpenta-1,4-dien-3-one | 2 - (1E,4E)-1,2,5-triphenylpenta-1,4-dien-3-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off