(Z)-N-(4-bromo-2-fluorophenyl)-2,3-diphenylprop-2-enamide
Formula:C21H15NOBrF
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(Z)-N-(4-bromo-2-fluorophenyl)-2,3-diphenylprop-2-enamide is not a drug-like molecule.
| MolName | (Z)-N-(4-bromo-2-fluorophenyl)-2,3-diphenylprop-2-enamide |
| MolecularFormula | C21H15NOBrF |
| Smiles | O=C(/C(/c1ccccc1)=C\c1ccccc1)Nc(ccc(Br)c1)c1F |
| InChI | InChI=1S/C21H15BrFNO/c22-17-11-12-20(19(23)14-17)24-21(25)18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-14H,(H,24,25) |
| InChIK | VQFFJMPRYBHKEK-UHFFFAOYSA-N |
| TotalMolweight | 396.258 |
| Molweight | 396.258 |
| MonoisotopicMass | 395.032103 |
| CLogP | 5.2991 |
| CLogS | -5.603 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 271.68 |
| Relative PSA | 0.09018 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.42805 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-(4-bromo-2-fluorophenyl)-2,3-diphenylprop-2-enamide | 2 - (Z)-N-(4-bromo-2-fluorophenyl)-2,3-diphenylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off