(4-benzoylphenyl) (E)-3-phenylprop-2-enoate
Formula:C22H16O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-benzoylphenyl) (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | (4-benzoylphenyl) (E)-3-phenylprop-2-enoate |
| MolecularFormula | C22H16O3 |
| Smiles | O=C(/C=C/c1ccccc1)Oc(cc1)ccc1C(c1ccccc1)=O |
| InChI | InChI=1S/C22H16O3/c23-21(16-11-17-7-3-1-4-8-17)25-20-14-12-19(13-15-20)22(24)18-9-5-2-6-10-18/h1-16H |
| InChIK | HDEKFYGVISVQEK-UHFFFAOYSA-N |
| TotalMolweight | 328.366 |
| Molweight | 328.366 |
| MonoisotopicMass | 328.109945 |
| CLogP | 4.5493 |
| CLogS | -5.556 |
| H Acceptors | 3 |
| TotalSurfaceArea | 264.78 |
| Relative PSA | 0.13626 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -2.807 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| 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 | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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