(2-oxo-1,2-diphenylethyl) (E)-3-phenylprop-2-enoate
Formula:C23H18O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2-oxo-1,2-diphenylethyl) (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | (2-oxo-1,2-diphenylethyl) (E)-3-phenylprop-2-enoate |
| MolecularFormula | C23H18O3 |
| Smiles | O=C(C(c1ccccc1)OC(/C=C/c1ccccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C23H18O3/c24-21(17-16-18-10-4-1-5-11-18)26-23(20-14-8-3-9-15-20)22(25)19-12-6-2-7-13-19/h1-17,23H/t23-/m1/s1 |
| InChIK | GMIIBLUETWDOTO-HSZRJFAPSA-N |
| TotalMolweight | 342.393 |
| Molweight | 342.393 |
| MonoisotopicMass | 342.125595 |
| CLogP | 4.1602 |
| CLogS | -4.837 |
| H Acceptors | 3 |
| TotalSurfaceArea | 277.28 |
| Relative PSA | 0.13012 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -1.8935 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon | racemate |
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