(E)-3-(4-bromophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
Formula:C20H20NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one |
| MolecularFormula | C20H20NOBr |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)c(cc1)ccc1N1CCCCC1 |
| InChI | InChI=1S/C20H20BrNO/c21-18-9-4-16(5-10-18)6-13-20(23)17-7-11-19(12-8-17)22-14-2-1-3-15-22/h4-13H,1-3,14-15H2 |
| InChIK | MBTPOVMUPYBEBJ-UHFFFAOYSA-N |
| TotalMolweight | 370.289 |
| Molweight | 370.289 |
| MonoisotopicMass | 369.072825 |
| CLogP | 4.862 |
| CLogS | -5.666 |
| H Acceptors | 2 |
| TotalSurfaceArea | 261.5 |
| Relative PSA | 0.063442 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -0.34105 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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