(4E)-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)pyrrolidine-2,3-dione
Formula:C23H14NO3BrClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C23H14NO3BrClF |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c(cc1)ccc1Br)N(C1=O)c(cc2)ccc2F)/C1=O |
| InChI | InChI=1S/C23H14BrClFNO3/c24-15-5-1-13(2-6-15)20-19(21(28)14-3-7-16(25)8-4-14)22(29)23(30)27(20)18-11-9-17(26)10-12-18/h1-12,20,28H/t20-/m1/s1 |
| InChIK | KZBIZKZWGMAARX-HXUWFJFHSA-N |
| TotalMolweight | 486.723 |
| Molweight | 486.723 |
| MonoisotopicMass | 484.98296 |
| CLogP | 4.8663 |
| CLogS | -5.877 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 307.25 |
| Relative PSA | 0.13907 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -3.6708 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)pyrrolidine-2,3-dione
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