(4E)-1-(3-bromophenyl)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Formula:C23H15NO3BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-(3-bromophenyl)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-(3-bromophenyl)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C23H15NO3BrF |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cc1)ccc1F)N(C1=O)c2cccc(Br)c2)/C1=O |
| InChI | InChI=1S/C23H15BrFNO3/c24-16-7-4-8-18(13-16)26-20(14-9-11-17(25)12-10-14)19(22(28)23(26)29)21(27)15-5-2-1-3-6-15/h1-13,20,27H/t20-/m1/s1 |
| InChIK | BTQAHSXTOZOYNH-HXUWFJFHSA-N |
| TotalMolweight | 452.278 |
| Molweight | 452.278 |
| MonoisotopicMass | 451.021933 |
| CLogP | 4.2603 |
| CLogS | -5.141 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 291.83 |
| Relative PSA | 0.14642 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -3.7153 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41379 |
| Fragments | 1 |
| Non HAtoms | 29 |
| 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 |
| StereoCon | racemate |
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1 - (4E)-1-(3-bromophenyl)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-1-(3-bromophenyl)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
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