(E)-3-(2-bromophenyl)-1-phenylprop-2-en-1-one
Formula:C15H11OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-bromophenyl)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2-bromophenyl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C15H11OBr |
| Smiles | O=C(/C=C/c(cccc1)c1Br)c1ccccc1 |
| InChI | InChI=1S/C15H11BrO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-11H |
| InChIK | OLPPSDMJGDTGJV-UHFFFAOYSA-N |
| TotalMolweight | 287.155 |
| Molweight | 287.155 |
| MonoisotopicMass | 285.999326 |
| CLogP | 4.029 |
| CLogS | -4.674 |
| H Acceptors | 1 |
| TotalSurfaceArea | 195.9 |
| Relative PSA | 0.066565 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.6775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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