(4E)-1-benzyl-4-benzylidenepyrrolidine-2,3-dione
Formula:C18H15NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-1-benzyl-4-benzylidenepyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-benzyl-4-benzylidenepyrrolidine-2,3-dione |
| MolecularFormula | C18H15NO2 |
| Smiles | O=C(/C(/CN1Cc2ccccc2)=C/c2ccccc2)C1=O |
| InChI | InChI=1S/C18H15NO2/c20-17-16(11-14-7-3-1-4-8-14)13-19(18(17)21)12-15-9-5-2-6-10-15/h1-11H,12-13H2 |
| InChIK | QLWRWJLPSXQXEE-UHFFFAOYSA-N |
| TotalMolweight | 277.322 |
| Molweight | 277.322 |
| MonoisotopicMass | 277.110279 |
| CLogP | 2.5461 |
| CLogS | -2.844 |
| H Acceptors | 3 |
| TotalSurfaceArea | 217.55 |
| Relative PSA | 0.1362 |
| PolarSurfaceArea | 37.38 |
| Druglikeness | 1.3944 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (4E)-1-benzyl-4-benzylidenepyrrolidine-2,3-dione | 2 - (4E)-1-benzyl-4-benzylidenepyrrolidine-2,3-dione
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