(4E)-5-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Formula:C22H15NO4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C22H15NO4Cl2 |
| Smiles | O/C(/c1ccccc1)=C(\C(c(ccc(Cl)c1)c1Cl)N(Cc1ccco1)C1=O)/C1=O |
| InChI | InChI=1S/C22H15Cl2NO4/c23-14-8-9-16(17(24)11-14)19-18(20(26)13-5-2-1-3-6-13)21(27)22(28)25(19)12-15-7-4-10-29-15/h1-11,19,26H,12H2/t19-/m1/s1 |
| InChIK | CWFYZPLFQJOJOV-LJQANCHMSA-N |
| TotalMolweight | 428.27 |
| Molweight | 428.27 |
| MonoisotopicMass | 427.037813 |
| CLogP | 3.7579 |
| CLogS | -4.625 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.14 |
| Relative PSA | 0.18875 |
| PolarSurfaceArea | 70.75 |
| Druglikeness | 0.45882 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41379 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-5-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
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