(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Formula:C24H14NO3BrF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione |
| MolecularFormula | C24H14NO3BrF4 |
| Smiles | O/C(/c(cc1)ccc1Br)=C(\C(c1cc(F)ccc1)N(C1=O)c2cc(C(F)(F)F)ccc2)/C1=O |
| InChI | InChI=1S/C24H14BrF4NO3/c25-16-9-7-13(8-10-16)21(31)19-20(14-3-1-5-17(26)11-14)30(23(33)22(19)32)18-6-2-4-15(12-18)24(27,28)29/h1-12,20,31H/t20-/m1/s1 |
| InChIK | PHWPOVJZAMSDPG-HXUWFJFHSA-N |
| TotalMolweight | 520.275 |
| Molweight | 520.275 |
| MonoisotopicMass | 519.009317 |
| CLogP | 5.1086 |
| CLogS | -5.919 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 321.29 |
| Relative PSA | 0.133 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -9.5653 |
| 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 |
Click to Load Molecule:
1 - (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off