(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-phenylpyrrolidine-2,3-dione
Formula:C23H15NO3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C23H15NO3ClF |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c1ccccc1)N(C1=O)c(cc2)ccc2F)/C1=O |
| InChI | InChI=1S/C23H15ClFNO3/c24-16-8-6-15(7-9-16)21(27)19-20(14-4-2-1-3-5-14)26(23(29)22(19)28)18-12-10-17(25)11-13-18/h1-13,20,27H/t20-/m1/s1 |
| InChIK | ZNZFEERSWHYFFS-HXUWFJFHSA-N |
| TotalMolweight | 407.827 |
| Molweight | 407.827 |
| MonoisotopicMass | 407.072449 |
| CLogP | 4.1411 |
| CLogS | -5.043 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 288.62 |
| Relative PSA | 0.14805 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -1.8808 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-phenylpyrrolidine-2,3-dione | 2 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-phenylpyrrolidine-2,3-dione
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