| MolName | (5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C17H12N2O3BrCl |
| Smiles | O=C(/C(/N1)=C\c(cc2)cc(Br)c2OCc(cc2)ccc2Cl)NC1=O |
| InChI | InChI=1S/C17H12BrClN2O3/c18-13-7-11(8-14-16(22)21-17(23)20-14)3-6-15(13)24-9-10-1-4-12(19)5-2-10/h1-8H,9H2,(H2,20,21,22,23) |
| InChIK | TYDQYRUAHAVNGH-UHFFFAOYSA-N |
| TotalMolweight | 407.65 |
| Molweight | 407.65 |
| MonoisotopicMass | 405.971981 |
| CLogP | 3.5476 |
| CLogS | -5.647 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 260.46 |
| Relative PSA | 0.22652 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | 1.2221 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione