[2-oxo-2-(4-phenylphenyl)ethyl] (E)-3-phenylprop-2-enoate
Formula:C23H18O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-oxo-2-(4-phenylphenyl)ethyl] (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | [2-oxo-2-(4-phenylphenyl)ethyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C23H18O3 |
| Smiles | O=C(COC(/C=C/c1ccccc1)=O)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C23H18O3/c24-22(17-26-23(25)16-11-18-7-3-1-4-8-18)21-14-12-20(13-15-21)19-9-5-2-6-10-19/h1-16H,17H2 |
| InChIK | WYMPRWNURRNCFT-UHFFFAOYSA-N |
| TotalMolweight | 342.393 |
| Molweight | 342.393 |
| MonoisotopicMass | 342.125595 |
| CLogP | 4.5209 |
| CLogS | -5.829 |
| H Acceptors | 3 |
| TotalSurfaceArea | 278.54 |
| Relative PSA | 0.12953 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -0.62996 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - [2-oxo-2-(4-phenylphenyl)ethyl] (E)-3-phenylprop-2-enoate | 2 - [2-oxo-2-(4-phenylphenyl)ethyl] (E)-3-phenylprop-2-enoate
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