(E)-N-(3-benzoyl-4-bromophenyl)-3-(2-chlorophenyl)prop-2-enamide
Formula:C22H15NO2BrCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-(3-benzoyl-4-bromophenyl)-3-(2-chlorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(3-benzoyl-4-bromophenyl)-3-(2-chlorophenyl)prop-2-enamide |
| MolecularFormula | C22H15NO2BrCl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)Nc(cc1)cc(C(c2ccccc2)=O)c1Br |
| InChI | InChI=1S/C22H15BrClNO2/c23-19-12-11-17(14-18(19)22(27)16-7-2-1-3-8-16)25-21(26)13-10-15-6-4-5-9-20(15)24/h1-14H,(H,25,26) |
| InChIK | WOFDJKWMVXUPDV-UHFFFAOYSA-N |
| TotalMolweight | 440.723 |
| Molweight | 440.723 |
| MonoisotopicMass | 438.997467 |
| CLogP | 5.5975 |
| CLogS | -7.168 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 300.29 |
| Relative PSA | 0.12501 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | -1.7472 |
| Mutagenic | none |
| Tumorigenic | high |
| 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 | 2 |
| Amides | 1 |
| StereoCon |
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