| MolName | (5E)-3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C17H11N2O2BrCl2 |
| Smiles | O=C(/C(/N1)=C\c(ccc(Cl)c2)c2Cl)N(Cc(cc2)ccc2Br)C1=O |
| InChI | InChI=1S/C17H11BrCl2N2O2/c18-12-4-1-10(2-5-12)9-22-16(23)15(21-17(22)24)7-11-3-6-13(19)8-14(11)20/h1-8H,9H2,(H,21,24) |
| InChIK | GBJRUEXSSCWXNB-UHFFFAOYSA-N |
| TotalMolweight | 426.096 |
| Molweight | 426.096 |
| MonoisotopicMass | 423.938093 |
| CLogP | 4.4765 |
| CLogS | -6.003 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 264.72 |
| Relative PSA | 0.15522 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | 3.1117 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione