| MolName | (5E)-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C10H6N2O3BrI |
| Smiles | Oc(c(Br)cc(/C=C(\C(N1)=O)/NC1=O)c1)c1I |
| InChI | InChI=1S/C10H6BrIN2O3/c11-5-1-4(2-6(12)8(5)15)3-7-9(16)14-10(17)13-7/h1-3,15H,(H2,13,14,16,17) |
| InChIK | QUCRFQNACJCMPC-UHFFFAOYSA-N |
| TotalMolweight | 408.973 |
| Molweight | 408.973 |
| MonoisotopicMass | 407.860652 |
| CLogP | 1.6849 |
| CLogS | -4.29 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 194.15 |
| Relative PSA | 0.31986 |
| PolarSurfaceArea | 78.43 |
| Druglikeness | 1.8342 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]imidazolidine-2,4-dione