1-[(Z)-1-(4-bromophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one
Formula:C19H19N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1-[(Z)-1-(4-bromophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one is a drug-like molecule.
| MolName | 1-[(Z)-1-(4-bromophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one |
| MolecularFormula | C19H19N2O2Br |
| Smiles | O=C(/C(/N(C=CC=C1)C1=O)=C/c(cc1)ccc1Br)N1CCCCC1 |
| InChI | InChI=1S/C19H19BrN2O2/c20-16-9-7-15(8-10-16)14-17(22-13-5-2-6-18(22)23)19(24)21-11-3-1-4-12-21/h2,5-10,13-14H,1,3-4,11-12H2 |
| InChIK | COIIOLPKHIDAGG-UHFFFAOYSA-N |
| TotalMolweight | 387.276 |
| Molweight | 387.276 |
| MonoisotopicMass | 386.062989 |
| CLogP | 3.6297 |
| CLogS | -3.914 |
| H Acceptors | 4 |
| TotalSurfaceArea | 267.5 |
| Relative PSA | 0.12404 |
| PolarSurfaceArea | 40.62 |
| Druglikeness | -0.25089 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - 1-[(Z)-1-(4-bromophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one | 2 - 1-[(Z)-1-(4-bromophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one
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