(4E)-5-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione
Formula:C22H14N2O6Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C22H14N2O6Cl2 |
| Smiles | [O-][N+](c1cccc(/C(/O)=C(/C(c(ccc(Cl)c2)c2Cl)N(Cc2ccco2)C2=O)\C2=O)c1)=O |
| InChI | InChI=1S/C22H14Cl2N2O6/c23-13-6-7-16(17(24)10-13)19-18(20(27)12-3-1-4-14(9-12)26(30)31)21(28)22(29)25(19)11-15-5-2-8-32-15/h1-10,19,27H,11H2/t19-/m1/s1 |
| InChIK | WRANLXDVRILPNE-LJQANCHMSA-N |
| TotalMolweight | 473.267 |
| Molweight | 473.267 |
| MonoisotopicMass | 472.022892 |
| CLogP | 2.8363 |
| CLogS | -5.085 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 324.81 |
| Relative PSA | 0.26865 |
| PolarSurfaceArea | 116.57 |
| Druglikeness | -4.5364 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.40625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-5-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione
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