(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
Formula:C22H15NO4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C22H15NO4ClF |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c(cc1)ccc1F)N(Cc1ccco1)C1=O)/C1=O |
| InChI | InChI=1S/C22H15ClFNO4/c23-15-7-3-14(4-8-15)20(26)18-19(13-5-9-16(24)10-6-13)25(22(28)21(18)27)12-17-2-1-11-29-17/h1-11,19,26H,12H2/t19-/m1/s1 |
| InChIK | YLRLPDHIXNSVSU-LJQANCHMSA-N |
| TotalMolweight | 411.815 |
| Molweight | 411.815 |
| MonoisotopicMass | 411.067364 |
| CLogP | 3.2527 |
| CLogS | -4.203 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 292.07 |
| Relative PSA | 0.19461 |
| PolarSurfaceArea | 70.75 |
| Druglikeness | -0.88118 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
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