(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
Formula:C25H18NO3Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C25H18NO3Cl3 |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c(cc1)cc(Cl)c1Cl)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C25H18Cl3NO3/c26-18-9-6-16(7-10-18)23(30)21-22(17-8-11-19(27)20(28)14-17)29(25(32)24(21)31)13-12-15-4-2-1-3-5-15/h1-11,14,22,30H,12-13H2/t22-/m1/s1 |
| InChIK | HXCRFFHYDGPZNZ-JOCHJYFZSA-N |
| TotalMolweight | 486.781 |
| Molweight | 486.781 |
| MonoisotopicMass | 485.035225 |
| CLogP | 5.6053 |
| CLogS | -5.791 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 340.63 |
| Relative PSA | 0.12544 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 0.77402 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
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