(E)-N-benzyl-3-(4-bromophenyl)prop-2-enamide
Formula:C16H14NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-3-(4-bromophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-3-(4-bromophenyl)prop-2-enamide |
| MolecularFormula | C16H14NOBr |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)NCc1ccccc1 |
| InChI | InChI=1S/C16H14BrNO/c17-15-9-6-13(7-10-15)8-11-16(19)18-12-14-4-2-1-3-5-14/h1-11H,12H2,(H,18,19) |
| InChIK | SPTWIJOYAZFZFE-UHFFFAOYSA-N |
| TotalMolweight | 316.197 |
| Molweight | 316.197 |
| MonoisotopicMass | 315.025875 |
| CLogP | 3.5709 |
| CLogS | -4.148 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 221.12 |
| Relative PSA | 0.1108 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.6982 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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