(4E)-4-benzylidene-1-(2-phenylethyl)pyrrolidine-2,3-dione
Formula:C19H17NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-benzylidene-1-(2-phenylethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-benzylidene-1-(2-phenylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C19H17NO2 |
| Smiles | O=C(/C(/CN1CCc2ccccc2)=C/c2ccccc2)C1=O |
| InChI | InChI=1S/C19H17NO2/c21-18-17(13-16-9-5-2-6-10-16)14-20(19(18)22)12-11-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2 |
| InChIK | JMHSHIDFPMECOK-UHFFFAOYSA-N |
| TotalMolweight | 291.349 |
| Molweight | 291.349 |
| MonoisotopicMass | 291.125929 |
| CLogP | 2.9762 |
| CLogS | -2.956 |
| H Acceptors | 3 |
| TotalSurfaceArea | 231.31 |
| Relative PSA | 0.1281 |
| PolarSurfaceArea | 37.38 |
| Druglikeness | 1.5472 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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