(4E)-4-benzylidene-1-cyclohexylpyrrolidine-2,3-dione
Formula:C17H19NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-benzylidene-1-cyclohexylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-benzylidene-1-cyclohexylpyrrolidine-2,3-dione |
| MolecularFormula | C17H19NO2 |
| Smiles | O=C(/C(/CN1C2CCCCC2)=C/c2ccccc2)C1=O |
| InChI | InChI=1S/C17H19NO2/c19-16-14(11-13-7-3-1-4-8-13)12-18(17(16)20)15-9-5-2-6-10-15/h1,3-4,7-8,11,15H,2,5-6,9-10,12H2 |
| InChIK | BMVPXJGIEHAUIF-UHFFFAOYSA-N |
| TotalMolweight | 269.343 |
| Molweight | 269.343 |
| MonoisotopicMass | 269.141579 |
| CLogP | 2.6837 |
| CLogS | -3.095 |
| H Acceptors | 3 |
| TotalSurfaceArea | 211.83 |
| Relative PSA | 0.13988 |
| PolarSurfaceArea | 37.38 |
| Druglikeness | -4.1133 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (4E)-4-benzylidene-1-cyclohexylpyrrolidine-2,3-dione | 2 - (4E)-4-benzylidene-1-cyclohexylpyrrolidine-2,3-dione
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