(4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Formula:C25H19NO3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C25H19NO3Cl2 |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cc1)cc(Cl)c1Cl)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C25H19Cl2NO3/c26-19-12-11-18(15-20(19)27)22-21(23(29)17-9-5-2-6-10-17)24(30)25(31)28(22)14-13-16-7-3-1-4-8-16/h1-12,15,22,29H,13-14H2/t22-/m1/s1 |
| InChIK | WKKVAEFJXMDUDG-JOCHJYFZSA-N |
| TotalMolweight | 452.336 |
| Molweight | 452.336 |
| MonoisotopicMass | 451.074198 |
| CLogP | 4.9993 |
| CLogS | -5.055 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 325.21 |
| Relative PSA | 0.13139 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 0.77402 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
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