3-[(E)-3-oxo-3-phenylprop-1-enyl]-1-phenylpyridin-2-one
Formula:C20H15NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-3-oxo-3-phenylprop-1-enyl]-1-phenylpyridin-2-one is a drug-like molecule.
| MolName | 3-[(E)-3-oxo-3-phenylprop-1-enyl]-1-phenylpyridin-2-one |
| MolecularFormula | C20H15NO2 |
| Smiles | O=C(/C=C/C1=CC=CN(c2ccccc2)C1=O)c1ccccc1 |
| InChI | InChI=1S/C20H15NO2/c22-19(16-8-3-1-4-9-16)14-13-17-10-7-15-21(20(17)23)18-11-5-2-6-12-18/h1-15H |
| InChIK | WLGFZZSWKUBQKY-UHFFFAOYSA-N |
| TotalMolweight | 301.344 |
| Molweight | 301.344 |
| MonoisotopicMass | 301.110279 |
| CLogP | 3.0339 |
| CLogS | -4.338 |
| H Acceptors | 3 |
| TotalSurfaceArea | 243.03 |
| Relative PSA | 0.12192 |
| PolarSurfaceArea | 37.38 |
| Druglikeness | 3.6401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(E)-3-oxo-3-phenylprop-1-enyl]-1-phenylpyridin-2-one | 2 - 3-[(E)-3-oxo-3-phenylprop-1-enyl]-1-phenylpyridin-2-one
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