(Z)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide
Formula:C21H16NOBr
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(Z)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide is not a drug-like molecule.
| MolName | (Z)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide |
| MolecularFormula | C21H16NOBr |
| Smiles | O=C(/C(/c1ccccc1)=C\c1ccccc1)Nc1cccc(Br)c1 |
| InChI | InChI=1S/C21H16BrNO/c22-18-12-7-13-19(15-18)23-21(24)20(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-15H,(H,23,24) |
| InChIK | NOESBRVRQYXVDK-UHFFFAOYSA-N |
| TotalMolweight | 378.268 |
| Molweight | 378.268 |
| MonoisotopicMass | 377.041525 |
| CLogP | 5.1983 |
| CLogS | -5.289 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 265.33 |
| Relative PSA | 0.092338 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.91195 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| 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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