(4E)-5-(2,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
Formula:C24H17NO6Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-5-(2,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(2,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H17NO6Cl2 |
| Smiles | O/C(/c(cc1)cc2c1OCCO2)=C(\C(c(ccc(Cl)c1)c1Cl)N(Cc1ccco1)C1=O)/C1=O |
| InChI | InChI=1S/C24H17Cl2NO6/c25-14-4-5-16(17(26)11-14)21-20(23(29)24(30)27(21)12-15-2-1-7-31-15)22(28)13-3-6-18-19(10-13)33-9-8-32-18/h1-7,10-11,21,28H,8-9,12H2/t21-/m1/s1 |
| InChIK | ZQCQKBYNVKAZEP-OAQYLSRUSA-N |
| TotalMolweight | 486.306 |
| Molweight | 486.306 |
| MonoisotopicMass | 485.043293 |
| CLogP | 3.7367 |
| CLogS | -4.807 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 335.16 |
| Relative PSA | 0.22926 |
| PolarSurfaceArea | 89.21 |
| Druglikeness | -6.5512 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-5-(2,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(2,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
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