| MolName | (5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione |
| MolecularFormula | C16H9N2O3BrCl2 |
| Smiles | Oc(c(/C=C(/C(N1c2cc(Cl)ccc2)=O)\NC1=O)cc(Br)c1)c1Cl |
| InChI | InChI=1S/C16H9BrCl2N2O3/c17-9-4-8(14(22)12(19)6-9)5-13-15(23)21(16(24)20-13)11-3-1-2-10(18)7-11/h1-7,22H,(H,20,24) |
| InChIK | MYWCZHNDMSAALV-UHFFFAOYSA-N |
| TotalMolweight | 428.068 |
| Molweight | 428.068 |
| MonoisotopicMass | 425.917358 |
| CLogP | 4.2079 |
| CLogS | -6.229 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 257.31 |
| Relative PSA | 0.2106 |
| PolarSurfaceArea | 69.64 |
| Druglikeness | 2.0235 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione | 2 - (5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione