(Z)-4-bromo-1-phenyl-3-(4-phenylphenyl)but-2-en-1-one
Formula:C22H17OBr
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
(Z)-4-bromo-1-phenyl-3-(4-phenylphenyl)but-2-en-1-one is not a drug-like molecule.
| MolName | (Z)-4-bromo-1-phenyl-3-(4-phenylphenyl)but-2-en-1-one |
| MolecularFormula | C22H17OBr |
| Smiles | O=C(/C=C(\CBr)/c(cc1)ccc1-c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C22H17BrO/c23-16-21(15-22(24)20-9-5-2-6-10-20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-15H,16H2 |
| InChIK | KYUOZSFCTPXCDM-UHFFFAOYSA-N |
| TotalMolweight | 377.28 |
| Molweight | 377.28 |
| MonoisotopicMass | 376.046276 |
| CLogP | 5.5437 |
| CLogS | -6.198 |
| H Acceptors | 1 |
| TotalSurfaceArea | 267.63 |
| Relative PSA | 0.048724 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -5.3777 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | prim. alkyl-bromide/iodide |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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