(4E)-1-benzyl-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
Formula:C24H16NO3Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-benzyl-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-benzyl-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C24H16NO3Cl2F |
| Smiles | O/C(/c(cc1)ccc1F)=C(\C(c(cc1)cc(Cl)c1Cl)N(Cc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C24H16Cl2FNO3/c25-18-11-8-16(12-19(18)26)21-20(22(29)15-6-9-17(27)10-7-15)23(30)24(31)28(21)13-14-4-2-1-3-5-14/h1-12,21,29H,13H2/t21-/m1/s1 |
| InChIK | HUOKDKQBGKYRLM-OAQYLSRUSA-N |
| TotalMolweight | 456.299 |
| Molweight | 456.299 |
| MonoisotopicMass | 455.049126 |
| CLogP | 4.67 |
| CLogS | -5.257 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 317.8 |
| Relative PSA | 0.13446 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -0.7388 |
| 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-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione | 2 - (4E)-1-benzyl-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
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