(4E)-1-benzyl-5-(3-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
Formula:C24H17NO3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-benzyl-5-(3-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-benzyl-5-(3-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C24H17NO3Cl2 |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c1cccc(Cl)c1)N(Cc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C24H17Cl2NO3/c25-18-11-9-16(10-12-18)22(28)20-21(17-7-4-8-19(26)13-17)27(24(30)23(20)29)14-15-5-2-1-3-6-15/h1-13,21,28H,14H2/t21-/m1/s1 |
| InChIK | LAHPWCBARUTUHG-OAQYLSRUSA-N |
| TotalMolweight | 438.309 |
| Molweight | 438.309 |
| MonoisotopicMass | 437.058548 |
| CLogP | 4.5692 |
| CLogS | -4.943 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 311.45 |
| Relative PSA | 0.1372 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 0.6012 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione | 2 - (4E)-1-benzyl-5-(3-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
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