(4E)-4-[hydroxy(phenyl)methylidene]-1-(4-iodophenyl)-5-phenylpyrrolidine-2,3-dione
Formula:C23H16NO3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-1-(4-iodophenyl)-5-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-1-(4-iodophenyl)-5-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C23H16NO3I |
| Smiles | O/C(/c1ccccc1)=C(\C(c1ccccc1)N(C1=O)c(cc2)ccc2I)/C1=O |
| InChI | InChI=1S/C23H16INO3/c24-17-11-13-18(14-12-17)25-20(15-7-3-1-4-8-15)19(22(27)23(25)28)21(26)16-9-5-2-6-10-16/h1-14,20,26H/t20-/m1/s1 |
| InChIK | KINYUSPLGONWHE-HXUWFJFHSA-N |
| TotalMolweight | 481.284 |
| Molweight | 481.284 |
| MonoisotopicMass | 481.017492 |
| CLogP | 3.8714 |
| CLogS | -5.009 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 293.13 |
| Relative PSA | 0.14577 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -0.11056 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(4-iodophenyl)-5-phenylpyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(4-iodophenyl)-5-phenylpyrrolidine-2,3-dione
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