(E)-3-(4-bromophenyl)-1-(4-phenoxyphenyl)prop-2-en-1-one
Formula:C21H15O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-1-(4-phenoxyphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-1-(4-phenoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C21H15O2Br |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)c(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C21H15BrO2/c22-18-11-6-16(7-12-18)8-15-21(23)17-9-13-20(14-10-17)24-19-4-2-1-3-5-19/h1-15H |
| InChIK | COIZJVURERMPLY-UHFFFAOYSA-N |
| TotalMolweight | 379.252 |
| Molweight | 379.252 |
| MonoisotopicMass | 378.025541 |
| CLogP | 5.4246 |
| CLogS | -6.971 |
| H Acceptors | 2 |
| TotalSurfaceArea | 265.66 |
| Relative PSA | 0.086727 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.7052 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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