(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Formula:C24H14NO3ClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione |
| MolecularFormula | C24H14NO3ClF4 |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c(cc1)ccc1F)N(C1=O)c2cc(C(F)(F)F)ccc2)/C1=O |
| InChI | InChI=1S/C24H14ClF4NO3/c25-16-8-4-14(5-9-16)21(31)19-20(13-6-10-17(26)11-7-13)30(23(33)22(19)32)18-3-1-2-15(12-18)24(27,28)29/h1-12,20,31H/t20-/m1/s1 |
| InChIK | WFUSZOHJOSYQBW-HXUWFJFHSA-N |
| TotalMolweight | 475.824 |
| Molweight | 475.824 |
| MonoisotopicMass | 475.059833 |
| CLogP | 4.9894 |
| CLogS | -5.821 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 318.08 |
| Relative PSA | 0.13434 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -7.7308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| 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 | 6 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
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