(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
Formula:C22H14NO4Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C22H14NO4Cl3 |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c(ccc(Cl)c1)c1Cl)N(Cc1ccco1)C1=O)/C1=O |
| InChI | InChI=1S/C22H14Cl3NO4/c23-13-5-3-12(4-6-13)20(27)18-19(16-8-7-14(24)10-17(16)25)26(22(29)21(18)28)11-15-2-1-9-30-15/h1-10,19,27H,11H2/t19-/m1/s1 |
| InChIK | WJKOFGVMZDRSOV-LJQANCHMSA-N |
| TotalMolweight | 462.715 |
| Molweight | 462.715 |
| MonoisotopicMass | 460.99884 |
| CLogP | 4.3639 |
| CLogS | -5.361 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 316.56 |
| Relative PSA | 0.17956 |
| PolarSurfaceArea | 70.75 |
| Druglikeness | 0.45882 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off