(E)-3-(2-chlorophenyl)-N-(4-phenylphenyl)prop-2-enamide
Formula:C21H16NOCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-N-(4-phenylphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-N-(4-phenylphenyl)prop-2-enamide |
| MolecularFormula | C21H16NOCl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)Nc(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H16ClNO/c22-20-9-5-4-8-18(20)12-15-21(24)23-19-13-10-17(11-14-19)16-6-2-1-3-7-16/h1-15H,(H,23,24) |
| InChIK | FYSYUIVSNBZMHG-UHFFFAOYSA-N |
| TotalMolweight | 333.817 |
| Molweight | 333.817 |
| MonoisotopicMass | 333.092041 |
| CLogP | 5.4015 |
| CLogS | -6.32 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 263.91 |
| Relative PSA | 0.092835 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.36294 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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