(4E)-1-benzyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-iodophenyl)pyrrolidine-2,3-dione
Formula:C24H17NO3FI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-benzyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-iodophenyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-1-benzyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-iodophenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H17NO3FI |
| Smiles | O/C(/c(cc1)ccc1F)=C(\C(c(cc1)ccc1I)N(Cc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C24H17FINO3/c25-18-10-6-17(7-11-18)22(28)20-21(16-8-12-19(26)13-9-16)27(24(30)23(20)29)14-15-4-2-1-3-5-15/h1-13,21,28H,14H2/t21-/m1/s1 |
| InChIK | LKOCWEPVWLCHCW-OAQYLSRUSA-N |
| TotalMolweight | 513.301 |
| Molweight | 513.301 |
| MonoisotopicMass | 513.02372 |
| CLogP | 3.8951 |
| CLogS | -4.801 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 313.24 |
| Relative PSA | 0.13641 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -0.34153 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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 |
Click to Load Molecule:
1 - (4E)-1-benzyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-iodophenyl)pyrrolidine-2,3-dione | 2 - (4E)-1-benzyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-iodophenyl)pyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off