(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Formula:C24H15NO3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione |
| MolecularFormula | C24H15NO3ClF3 |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c1ccccc1)N(C1=O)c2cc(C(F)(F)F)ccc2)/C1=O |
| InChI | InChI=1S/C24H15ClF3NO3/c25-17-11-9-15(10-12-17)21(30)19-20(14-5-2-1-3-6-14)29(23(32)22(19)31)18-8-4-7-16(13-18)24(26,27)28/h1-13,20,30H/t20-/m1/s1 |
| InChIK | CJQNUILGEOGBDV-HXUWFJFHSA-N |
| TotalMolweight | 457.834 |
| Molweight | 457.834 |
| MonoisotopicMass | 457.069255 |
| CLogP | 4.8886 |
| CLogS | -5.507 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 311.73 |
| Relative PSA | 0.13707 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -7.7308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
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