(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Formula:C24H14NO3BrClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione |
| MolecularFormula | C24H14NO3BrClF3 |
| Smiles | O/C(/c(cc1)ccc1Br)=C(\C(c(cccc1)c1Cl)N(C1=O)c2cc(C(F)(F)F)ccc2)/C1=O |
| InChI | InChI=1S/C24H14BrClF3NO3/c25-15-10-8-13(9-11-15)21(31)19-20(17-6-1-2-7-18(17)26)30(23(33)22(19)32)16-5-3-4-14(12-16)24(27,28)29/h1-12,20,31H/t20-/m1/s1 |
| InChIK | ZTPZLVXIWJQEJD-HXUWFJFHSA-N |
| TotalMolweight | 536.73 |
| Molweight | 536.73 |
| MonoisotopicMass | 534.979766 |
| CLogP | 5.6138 |
| CLogS | -6.341 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 330.36 |
| Relative PSA | 0.12934 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -9.5208 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| 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 |
| StereoCon | racemate |
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1 - (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
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