(4E)-1-benzyl-5-(3,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Formula:C24H17NO3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-benzyl-5-(3,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-benzyl-5-(3,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C24H17NO3Cl2 |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cc1)cc(Cl)c1Cl)N(Cc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C24H17Cl2NO3/c25-18-12-11-17(13-19(18)26)21-20(22(28)16-9-5-2-6-10-16)23(29)24(30)27(21)14-15-7-3-1-4-8-15/h1-13,21,28H,14H2/t21-/m1/s1 |
| InChIK | POMWPYKEMOXCJX-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 | 0.43333 |
| 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-(3,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-1-benzyl-5-(3,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
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