(E)-N-(2-bromophenyl)-3-naphthalen-1-ylprop-2-enamide
Formula:C19H14NOBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-(2-bromophenyl)-3-naphthalen-1-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(2-bromophenyl)-3-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C19H14NOBr |
| Smiles | O=C(/C=C/c1cccc2ccccc12)Nc(cccc1)c1Br |
| InChI | InChI=1S/C19H14BrNO/c20-17-10-3-4-11-18(17)21-19(22)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H,21,22) |
| InChIK | NZPTZEUVMQATIB-UHFFFAOYSA-N |
| TotalMolweight | 352.23 |
| Molweight | 352.23 |
| MonoisotopicMass | 351.025875 |
| CLogP | 5.0559 |
| CLogS | -5.938 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 241.96 |
| Relative PSA | 0.10126 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -2.2289 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(2-bromophenyl)-3-naphthalen-1-ylprop-2-enamide | 2 - (E)-N-(2-bromophenyl)-3-naphthalen-1-ylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off