(E)-1-(4-bromophenyl)-3-piperidin-1-ylprop-2-en-1-one
Formula:C14H16NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-bromophenyl)-3-piperidin-1-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-3-piperidin-1-ylprop-2-en-1-one |
| MolecularFormula | C14H16NOBr |
| Smiles | O=C(/C=C/N1CCCCC1)c(cc1)ccc1Br |
| InChI | InChI=1S/C14H16BrNO/c15-13-6-4-12(5-7-13)14(17)8-11-16-9-2-1-3-10-16/h4-8,11H,1-3,9-10H2 |
| InChIK | LXRXSABOVXHRIN-UHFFFAOYSA-N |
| TotalMolweight | 294.191 |
| Molweight | 294.191 |
| MonoisotopicMass | 293.041525 |
| CLogP | 2.8905 |
| CLogS | -3.707 |
| H Acceptors | 2 |
| TotalSurfaceArea | 201.74 |
| Relative PSA | 0.082235 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -0.4536 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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