N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-2,2-diphenylacetamide
Formula:C29H23NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-2,2-diphenylacetamide is not a drug-like molecule.
| MolName | N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-2,2-diphenylacetamide |
| MolecularFormula | C29H23NO2 |
| Smiles | O=C(C(c1ccccc1)c1ccccc1)Nc1ccc(/C=C/C(c2ccccc2)=O)cc1 |
| InChI | InChI=1S/C29H23NO2/c31-27(23-10-4-1-5-11-23)21-18-22-16-19-26(20-17-22)30-29(32)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21,28H,(H,30,32) |
| InChIK | QFLBUJXYLQQSGF-UHFFFAOYSA-N |
| TotalMolweight | 417.507 |
| Molweight | 417.507 |
| MonoisotopicMass | 417.172879 |
| CLogP | 5.977 |
| CLogS | -6.466 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 338.5 |
| Relative PSA | 0.1109 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | 3.0682 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 12 |
| Amides | 1 |
| StereoCon |
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