(3Z)-3-[(2,4-dichlorophenyl)methylidene]-1-phenylpyrrolidine-2,5-dione
Formula:C17H11NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(2,4-dichlorophenyl)methylidene]-1-phenylpyrrolidine-2,5-dione is a drug-like molecule.
| MolName | (3Z)-3-[(2,4-dichlorophenyl)methylidene]-1-phenylpyrrolidine-2,5-dione |
| MolecularFormula | C17H11NO2Cl2 |
| Smiles | O=C(C/C(/C1=O)=C/c(ccc(Cl)c2)c2Cl)N1c1ccccc1 |
| InChI | InChI=1S/C17H11Cl2NO2/c18-13-7-6-11(15(19)10-13)8-12-9-16(21)20(17(12)22)14-4-2-1-3-5-14/h1-8,10H,9H2 |
| InChIK | ZQUGMIAJVLYXEU-UHFFFAOYSA-N |
| TotalMolweight | 332.185 |
| Molweight | 332.185 |
| MonoisotopicMass | 331.016683 |
| CLogP | 3.9774 |
| CLogS | -5.168 |
| H Acceptors | 3 |
| TotalSurfaceArea | 234.63 |
| Relative PSA | 0.12628 |
| PolarSurfaceArea | 37.38 |
| Druglikeness | 3.2621 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (3Z)-3-[(2,4-dichlorophenyl)methylidene]-1-phenylpyrrolidine-2,5-dione | 2 - (3Z)-3-[(2,4-dichlorophenyl)methylidene]-1-phenylpyrrolidine-2,5-dione
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