(4E)-1-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]pyrrolidine-2,3-dione
Formula:C17H11NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-1-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C17H11NO2Cl2 |
| Smiles | O=C(/C(/CN1c(cc2)ccc2Cl)=C/c(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C17H11Cl2NO2/c18-13-3-1-11(2-4-13)9-12-10-20(17(22)16(12)21)15-7-5-14(19)6-8-15/h1-9H,10H2 |
| InChIK | XRJXOQYDIQSCEG-UHFFFAOYSA-N |
| TotalMolweight | 332.185 |
| Molweight | 332.185 |
| MonoisotopicMass | 331.016683 |
| CLogP | 3.8352 |
| CLogS | -4.838 |
| H Acceptors | 3 |
| TotalSurfaceArea | 234.63 |
| Relative PSA | 0.12628 |
| PolarSurfaceArea | 37.38 |
| Druglikeness | 1.1381 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| 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 | 4 |
| Amides | 1 |
| StereoCon |
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