2-(2-chlorophenoxy)-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]acetamide
Formula:C23H18NO3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(2-chlorophenoxy)-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]acetamide is a drug-like molecule.
| MolName | 2-(2-chlorophenoxy)-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]acetamide |
| MolecularFormula | C23H18NO3Cl |
| Smiles | O=C(COc(cccc1)c1Cl)Nc1ccc(/C=C/C(c2ccccc2)=O)cc1 |
| InChI | InChI=1S/C23H18ClNO3/c24-20-8-4-5-9-22(20)28-16-23(27)25-19-13-10-17(11-14-19)12-15-21(26)18-6-2-1-3-7-18/h1-15H,16H2,(H,25,27) |
| InChIK | SJMRCFGMJYOQLH-UHFFFAOYSA-N |
| TotalMolweight | 391.853 |
| Molweight | 391.853 |
| MonoisotopicMass | 391.097521 |
| CLogP | 4.6322 |
| CLogS | -5.868 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 305.42 |
| Relative PSA | 0.15565 |
| PolarSurfaceArea | 55.4 |
| Druglikeness | 2.0435 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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