| MolName | 2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]acetamide |
| MolecularFormula | C17H15NO3 |
| Smiles | NC(COc1ccc(/C=C/C(c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C17H15NO3/c18-17(20)12-21-15-9-6-13(7-10-15)8-11-16(19)14-4-2-1-3-5-14/h1-11H,12H2,(H2,18,20) |
| InChIK | XZRDKESCIXRAJM-UHFFFAOYSA-N |
| TotalMolweight | 281.31 |
| Molweight | 281.31 |
| MonoisotopicMass | 281.105194 |
| CLogP | 1.966 |
| CLogS | -3.709 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 227.3 |
| Relative PSA | 0.22591 |
| PolarSurfaceArea | 69.39 |
| Druglikeness | 0.92047 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]acetamide | 2 - 2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]acetamide