(E)-N-(2-benzoyl-4-chlorophenyl)-3-(4-chlorophenyl)prop-2-enamide
Formula:C22H15NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-benzoyl-4-chlorophenyl)-3-(4-chlorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(2-benzoyl-4-chlorophenyl)-3-(4-chlorophenyl)prop-2-enamide |
| MolecularFormula | C22H15NO2Cl2 |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc(ccc(Cl)c1)c1C(c1ccccc1)=O |
| InChI | InChI=1S/C22H15Cl2NO2/c23-17-9-6-15(7-10-17)8-13-21(26)25-20-12-11-18(24)14-19(20)22(27)16-4-2-1-3-5-16/h1-14H,(H,25,26) |
| InChIK | VOHQOGBCGJKWGX-UHFFFAOYSA-N |
| TotalMolweight | 396.272 |
| Molweight | 396.272 |
| MonoisotopicMass | 395.047983 |
| CLogP | 5.4783 |
| CLogS | -7.07 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 297.08 |
| Relative PSA | 0.12636 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | 0.042801 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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