(3E)-3-[(2,4-dichlorophenyl)methylidene]pyrrolidine-2,5-dione
Formula:C11H7NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(2,4-dichlorophenyl)methylidene]pyrrolidine-2,5-dione is a drug-like molecule.
| MolName | (3E)-3-[(2,4-dichlorophenyl)methylidene]pyrrolidine-2,5-dione |
| MolecularFormula | C11H7NO2Cl2 |
| Smiles | O=C(C/C1=C\c(ccc(Cl)c2)c2Cl)NC1=O |
| InChI | InChI=1S/C11H7Cl2NO2/c12-8-2-1-6(9(13)5-8)3-7-4-10(15)14-11(7)16/h1-3,5H,4H2,(H,14,15,16) |
| InChIK | ITSOSBKLVUFUAY-UHFFFAOYSA-N |
| TotalMolweight | 256.088 |
| Molweight | 256.088 |
| MonoisotopicMass | 254.985383 |
| CLogP | 2.2293 |
| CLogS | -3.685 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 176.03 |
| Relative PSA | 0.21326 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | 3.9841 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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