(E)-N-benzyl-N-(2-bromophenyl)-3-phenylprop-2-enamide
Formula:C22H18NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-N-(2-bromophenyl)-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-benzyl-N-(2-bromophenyl)-3-phenylprop-2-enamide |
| MolecularFormula | C22H18NOBr |
| Smiles | O=C(/C=C/c1ccccc1)N(Cc1ccccc1)c(cccc1)c1Br |
| InChI | InChI=1S/C22H18BrNO/c23-20-13-7-8-14-21(20)24(17-19-11-5-2-6-12-19)22(25)16-15-18-9-3-1-4-10-18/h1-16H,17H2 |
| InChIK | HARMXLPXKGAMQV-UHFFFAOYSA-N |
| TotalMolweight | 392.295 |
| Molweight | 392.295 |
| MonoisotopicMass | 391.057175 |
| CLogP | 5.529 |
| CLogS | -5.631 |
| H Acceptors | 2 |
| TotalSurfaceArea | 279.72 |
| Relative PSA | 0.059309 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -0.10672 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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