(4E)-5-(2,4-dichlorophenyl)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Formula:C21H19NO5Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(2,4-dichlorophenyl)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(2,4-dichlorophenyl)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C21H19NO5Cl2 |
| Smiles | OCCOCCN(C(/C(/C1=O)=C(/c2ccccc2)\O)c(ccc(Cl)c2)c2Cl)C1=O |
| InChI | InChI=1S/C21H19Cl2NO5/c22-14-6-7-15(16(23)12-14)18-17(19(26)13-4-2-1-3-5-13)20(27)21(28)24(18)8-10-29-11-9-25/h1-7,12,18,25-26H,8-11H2/t18-/m1/s1 |
| InChIK | NSQVRLZHKPDVBO-GOSISDBHSA-N |
| TotalMolweight | 436.29 |
| Molweight | 436.29 |
| MonoisotopicMass | 435.064028 |
| CLogP | 2.5382 |
| CLogS | -3.334 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 309.32 |
| Relative PSA | 0.21282 |
| PolarSurfaceArea | 87.07 |
| Druglikeness | -2.5672 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(2,4-dichlorophenyl)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-5-(2,4-dichlorophenyl)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
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