| MolName | (5E)-5-[(2-bromophenyl)methylidene]-3-[(E)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione |
| MolecularFormula | C20H11N2O5Br |
| Smiles | O=C(/C(/N1)=C\c(cccc2)c2Br)N(/C=C(\C(c(cccc2)c2O2)=O)/C2=O)C1=O |
| InChI | InChI=1S/C20H11BrN2O5/c21-14-7-3-1-5-11(14)9-15-18(25)23(20(27)22-15)10-13-17(24)12-6-2-4-8-16(12)28-19(13)26/h1-10H,(H,22,27) |
| InChIK | UPQQYXPYUSIKAW-UHFFFAOYSA-N |
| TotalMolweight | 439.22 |
| Molweight | 439.22 |
| MonoisotopicMass | 437.985134 |
| CLogP | 2.5681 |
| CLogS | -5.288 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 276.83 |
| Relative PSA | 0.27876 |
| PolarSurfaceArea | 92.78 |
| Druglikeness | 0.12873 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-[(2-bromophenyl)methylidene]-3-[(E)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione | 2 - (5E)-5-[(2-bromophenyl)methylidene]-3-[(E)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione