(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
Formula:C22H14N2O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C22H14N2O3ClF |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c(cccc1)c1F)N(C1=O)c2ncccc2)/C1=O |
| InChI | InChI=1S/C22H14ClFN2O3/c23-14-10-8-13(9-11-14)20(27)18-19(15-5-1-2-6-16(15)24)26(22(29)21(18)28)17-7-3-4-12-25-17/h1-12,19,27H/t19-/m1/s1 |
| InChIK | LTXLKWOFIYGOHO-LJQANCHMSA-N |
| TotalMolweight | 408.815 |
| Molweight | 408.815 |
| MonoisotopicMass | 408.067698 |
| CLogP | 3.4916 |
| CLogS | -4.773 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 287.38 |
| Relative PSA | 0.18686 |
| PolarSurfaceArea | 70.5 |
| Druglikeness | -1.8808 |
| 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 | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione | 2 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
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