(4E)-1-(5-bromopyridin-2-yl)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Formula:C22H14N2O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-(5-bromopyridin-2-yl)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-(5-bromopyridin-2-yl)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C22H14N2O3BrCl |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cc1)ccc1Cl)N(C1=O)c(cc2)ncc2Br)/C1=O |
| InChI | InChI=1S/C22H14BrClN2O3/c23-15-8-11-17(25-12-15)26-19(13-6-9-16(24)10-7-13)18(21(28)22(26)29)20(27)14-4-2-1-3-5-14/h1-12,19,27H/t19-/m1/s1 |
| InChIK | CGLHVZYKRDVNFK-LJQANCHMSA-N |
| TotalMolweight | 469.721 |
| Molweight | 469.721 |
| MonoisotopicMass | 467.987631 |
| CLogP | 4.116 |
| CLogS | -5.293 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 299.66 |
| Relative PSA | 0.1792 |
| PolarSurfaceArea | 70.5 |
| Druglikeness | -2.3308 |
| 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 | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-1-(5-bromopyridin-2-yl)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-1-(5-bromopyridin-2-yl)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
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