| MolName | (E)-3-(4-bromophenyl)-N-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C15H11NOBrF |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)Nc(cc1)ccc1F |
| InChI | InChI=1S/C15H11BrFNO/c16-12-4-1-11(2-5-12)3-10-15(19)18-14-8-6-13(17)7-9-14/h1-10H,(H,18,19) |
| InChIK | COSZHEYFOCGPLB-UHFFFAOYSA-N |
| TotalMolweight | 320.16 |
| Molweight | 320.16 |
| MonoisotopicMass | 319.000803 |
| CLogP | 3.9623 |
| CLogS | -4.646 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 213.71 |
| Relative PSA | 0.11464 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -3.5689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-bromophenyl)-N-(4-fluorophenyl)prop-2-enamide | 2 - (E)-3-(4-bromophenyl)-N-(4-fluorophenyl)prop-2-enamide