(4E)-1-(4-bromophenyl)-4-[(4-chlorophenyl)methylidene]pyrrolidine-2,3-dione
Formula:C17H11NO2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-1-(4-bromophenyl)-4-[(4-chlorophenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-(4-bromophenyl)-4-[(4-chlorophenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C17H11NO2BrCl |
| Smiles | O=C(/C(/CN1c(cc2)ccc2Br)=C/c(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C17H11BrClNO2/c18-13-3-7-15(8-4-13)20-10-12(16(21)17(20)22)9-11-1-5-14(19)6-2-11/h1-9H,10H2 |
| InChIK | JGKNMPSVACBNLR-UHFFFAOYSA-N |
| TotalMolweight | 376.636 |
| Molweight | 376.636 |
| MonoisotopicMass | 374.966167 |
| CLogP | 3.9544 |
| CLogS | -4.936 |
| H Acceptors | 3 |
| TotalSurfaceArea | 237.84 |
| Relative PSA | 0.12458 |
| PolarSurfaceArea | 37.38 |
| Druglikeness | -0.65188 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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