(E)-1-(3-bromophenyl)-3-(4-phenylphenyl)prop-2-en-1-one
Formula:C21H15OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(3-bromophenyl)-3-(4-phenylphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(3-bromophenyl)-3-(4-phenylphenyl)prop-2-en-1-one |
| MolecularFormula | C21H15OBr |
| Smiles | O=C(/C=C/c(cc1)ccc1-c1ccccc1)c1cccc(Br)c1 |
| InChI | InChI=1S/C21H15BrO/c22-20-8-4-7-19(15-20)21(23)14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17/h1-15H |
| InChIK | SREORRSFSPSKJJ-UHFFFAOYSA-N |
| TotalMolweight | 363.253 |
| Molweight | 363.253 |
| MonoisotopicMass | 362.030626 |
| CLogP | 5.6882 |
| CLogS | -6.76 |
| H Acceptors | 1 |
| TotalSurfaceArea | 255.66 |
| Relative PSA | 0.051005 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.6775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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