(4E)-5-(4-fluorophenyl)-4-[hydroxy(pyridin-2-yl)methylidene]-1-phenylpyrrolidine-2,3-dione
Formula:C22H15N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-5-(4-fluorophenyl)-4-[hydroxy(pyridin-2-yl)methylidene]-1-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(4-fluorophenyl)-4-[hydroxy(pyridin-2-yl)methylidene]-1-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C22H15N2O3F |
| Smiles | O/C(/c1ncccc1)=C(\C(c(cc1)ccc1F)N(C1=O)c2ccccc2)/C1=O |
| InChI | InChI=1S/C22H15FN2O3/c23-15-11-9-14(10-12-15)19-18(20(26)17-8-4-5-13-24-17)21(27)22(28)25(19)16-6-2-1-3-7-16/h1-13,19,26H/t19-/m1/s1 |
| InChIK | OLYJIYCVYDFXHP-LJQANCHMSA-N |
| TotalMolweight | 374.37 |
| Molweight | 374.37 |
| MonoisotopicMass | 374.106671 |
| CLogP | 2.5882 |
| CLogS | -3.536 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 271.96 |
| Relative PSA | 0.19746 |
| PolarSurfaceArea | 70.5 |
| Druglikeness | -1.9253 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| 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 | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(4-fluorophenyl)-4-[hydroxy(pyridin-2-yl)methylidene]-1-phenylpyrrolidine-2,3-dione | 2 - (4E)-5-(4-fluorophenyl)-4-[hydroxy(pyridin-2-yl)methylidene]-1-phenylpyrrolidine-2,3-dione
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