(4E)-1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)pyrrolidine-2,3-dione
Formula:C24H16NO3Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H16NO3Cl3 |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c(cc1)cc(Cl)c1Cl)N(Cc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C24H16Cl3NO3/c25-17-9-6-15(7-10-17)22(29)20-21(16-8-11-18(26)19(27)12-16)28(24(31)23(20)30)13-14-4-2-1-3-5-14/h1-12,21,29H,13H2/t21-/m1/s1 |
| InChIK | LVTICVGQHHTXLO-OAQYLSRUSA-N |
| TotalMolweight | 472.754 |
| Molweight | 472.754 |
| MonoisotopicMass | 471.019575 |
| CLogP | 5.1752 |
| CLogS | -5.679 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 326.87 |
| Relative PSA | 0.13072 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 0.6012 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)pyrrolidine-2,3-dione | 2 - (4E)-1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)pyrrolidine-2,3-dione
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