(4Z)-1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione
Formula:C24H17NO3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4Z)-1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4Z)-1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H17NO3ClF |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(/C(c(cccc1)c1F)N(Cc1ccccc1)C1=O)\C1=O |
| InChI | InChI=1S/C24H17ClFNO3/c25-17-12-10-16(11-13-17)22(28)20-21(18-8-4-5-9-19(18)26)27(24(30)23(20)29)14-15-6-2-1-3-7-15/h1-13,21,28H,14H2/t21-/m1/s1 |
| InChIK | CGFCLQAGMNWYRE-OAQYLSRUSA-N |
| TotalMolweight | 421.854 |
| Molweight | 421.854 |
| MonoisotopicMass | 421.088099 |
| CLogP | 4.064 |
| CLogS | -4.521 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 302.38 |
| Relative PSA | 0.14131 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -0.7388 |
| 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 | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4Z)-1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione | 2 - (4Z)-1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione
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