(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1,5-bis(4-fluorophenyl)pyrrolidine-2,3-dione
Formula:C23H14NO3ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1,5-bis(4-fluorophenyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1,5-bis(4-fluorophenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C23H14NO3ClF2 |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c(cc1)ccc1F)N(C1=O)c(cc2)ccc2F)/C1=O |
| InChI | InChI=1S/C23H14ClF2NO3/c24-15-5-1-14(2-6-15)21(28)19-20(13-3-7-16(25)8-4-13)27(23(30)22(19)29)18-11-9-17(26)10-12-18/h1-12,20,28H/t20-/m1/s1 |
| InChIK | BAABDVIXYBAOLD-HXUWFJFHSA-N |
| TotalMolweight | 425.817 |
| Molweight | 425.817 |
| MonoisotopicMass | 425.063027 |
| CLogP | 4.2419 |
| CLogS | -5.357 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 294.97 |
| Relative PSA | 0.14486 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -1.8808 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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]-1,5-bis(4-fluorophenyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1,5-bis(4-fluorophenyl)pyrrolidine-2,3-dione
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