(E)-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-yl]-1-phenylprop-2-en-1-one
Formula:C22H16O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-yl]-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-yl]-1-phenylprop-2-en-1-one |
| MolecularFormula | C22H16O3 |
| Smiles | O=C(/C=C/c1ccc(/C=C/C(c2ccccc2)=O)o1)c1ccccc1 |
| InChI | InChI=1S/C22H16O3/c23-21(17-7-3-1-4-8-17)15-13-19-11-12-20(25-19)14-16-22(24)18-9-5-2-6-10-18/h1-16H |
| InChIK | HSGSSYGYTKOUJK-UHFFFAOYSA-N |
| TotalMolweight | 328.366 |
| Molweight | 328.366 |
| MonoisotopicMass | 328.109945 |
| CLogP | 4.1907 |
| CLogS | -5.77 |
| H Acceptors | 3 |
| TotalSurfaceArea | 270.97 |
| Relative PSA | 0.14832 |
| PolarSurfaceArea | 47.28 |
| Druglikeness | 1.7524 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 14 |
| StereoCon |
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