| MolName | (5E)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C14H8N2O3BrClS |
| Smiles | O=C(/C(/N1)=C\c(o2)cc(Br)c2Sc(cc2)ccc2Cl)NC1=O |
| InChI | InChI=1S/C14H8BrClN2O3S/c15-10-5-8(6-11-12(19)18-14(20)17-11)21-13(10)22-9-3-1-7(16)2-4-9/h1-6H,(H2,17,18,19,20) |
| InChIK | AHGKQJOBGXUHFF-UHFFFAOYSA-N |
| TotalMolweight | 399.652 |
| Molweight | 399.652 |
| MonoisotopicMass | 397.912751 |
| CLogP | 3.3067 |
| CLogS | -5.537 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 243.88 |
| Relative PSA | 0.33049 |
| PolarSurfaceArea | 96.64 |
| Druglikeness | -1.8385 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione