(4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(4-iodophenyl)pyrrolidine-2,3-dione
Formula:C24H18NO3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(4-iodophenyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(4-iodophenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H18NO3I |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cc1)ccc1I)N(Cc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C24H18INO3/c25-19-13-11-17(12-14-19)21-20(22(27)18-9-5-2-6-10-18)23(28)24(29)26(21)15-16-7-3-1-4-8-16/h1-14,21,27H,15H2/t21-/m1/s1 |
| InChIK | LQROUPXBJNCKMY-OAQYLSRUSA-N |
| TotalMolweight | 495.311 |
| Molweight | 495.311 |
| MonoisotopicMass | 495.033142 |
| CLogP | 3.7943 |
| CLogS | -4.487 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 306.89 |
| Relative PSA | 0.13924 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 0.99847 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(4-iodophenyl)pyrrolidine-2,3-dione | 2 - (4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(4-iodophenyl)pyrrolidine-2,3-dione
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