(4E)-1-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione
Formula:C23H14NO3Br2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-1-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C23H14NO3Br2F |
| Smiles | O/C(/c(cc1)ccc1Br)=C(\C(c(cccc1)c1F)N(C1=O)c(cc2)ccc2Br)/C1=O |
| InChI | InChI=1S/C23H14Br2FNO3/c24-14-7-5-13(6-8-14)21(28)19-20(17-3-1-2-4-18(17)26)27(23(30)22(19)29)16-11-9-15(25)10-12-16/h1-12,20,28H/t20-/m1/s1 |
| InChIK | KRLFDPVMZRCLBS-HXUWFJFHSA-N |
| TotalMolweight | 531.174 |
| Molweight | 531.174 |
| MonoisotopicMass | 528.932444 |
| CLogP | 4.9855 |
| CLogS | -5.975 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 310.46 |
| Relative PSA | 0.13763 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -3.7153 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| 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 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-1-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione | 2 - (4E)-1-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione
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