(Z)-1,4-diphenyl-2-piperidin-1-ylbut-2-ene-1,4-dione
Formula:C21H21NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1,4-diphenyl-2-piperidin-1-ylbut-2-ene-1,4-dione is a drug-like molecule.
| MolName | (Z)-1,4-diphenyl-2-piperidin-1-ylbut-2-ene-1,4-dione |
| MolecularFormula | C21H21NO2 |
| Smiles | O=C(/C=C(/C(c1ccccc1)=O)\N1CCCCC1)c1ccccc1 |
| InChI | InChI=1S/C21H21NO2/c23-20(17-10-4-1-5-11-17)16-19(22-14-8-3-9-15-22)21(24)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2 |
| InChIK | HRBYRAWQGFNRGI-UHFFFAOYSA-N |
| TotalMolweight | 319.403 |
| Molweight | 319.403 |
| MonoisotopicMass | 319.157229 |
| CLogP | 3.9275 |
| CLogS | -4.445 |
| H Acceptors | 3 |
| TotalSurfaceArea | 258.83 |
| Relative PSA | 0.11448 |
| PolarSurfaceArea | 37.38 |
| Druglikeness | 2.2344 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (Z)-1,4-diphenyl-2-piperidin-1-ylbut-2-ene-1,4-dione | 2 - (Z)-1,4-diphenyl-2-piperidin-1-ylbut-2-ene-1,4-dione
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