(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-(2-nitrophenyl)pyrrolidine-2,3-dione
Formula:C23H14N2O5ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-(2-nitrophenyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-(2-nitrophenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C23H14N2O5ClF |
| Smiles | [O-][N+](c1c(C(/C(/C(C2=O)=O)=C(/c(cc3)ccc3Cl)\O)N2c(cc2)ccc2F)cccc1)=O |
| InChI | InChI=1S/C23H14ClFN2O5/c24-14-7-5-13(6-8-14)21(28)19-20(17-3-1-2-4-18(17)27(31)32)26(23(30)22(19)29)16-11-9-15(25)10-12-16/h1-12,20,28H/t20-/m1/s1 |
| InChIK | RYTBUWSLGWDXMH-HXUWFJFHSA-N |
| TotalMolweight | 452.824 |
| Molweight | 452.824 |
| MonoisotopicMass | 452.057528 |
| CLogP | 3.2195 |
| CLogS | -5.503 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 312.29 |
| Relative PSA | 0.23424 |
| PolarSurfaceArea | 103.43 |
| Druglikeness | -6.9733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-(2-nitrophenyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-(2-nitrophenyl)pyrrolidine-2,3-dione
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