| MolName | (5E)-5-[[5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C16H10N2O5 |
| Smiles | O=C(/C(/N1)=C\c2ccc(-c3cc(C(OC4)=O)c4cc3)o2)NC1=O |
| InChI | InChI=1S/C16H10N2O5/c19-14-12(17-16(21)18-14)6-10-3-4-13(23-10)8-1-2-9-7-22-15(20)11(9)5-8/h1-6H,7H2,(H2,17,18,19,21) |
| InChIK | OEWLLOOGBGKHTE-UHFFFAOYSA-N |
| TotalMolweight | 310.264 |
| Molweight | 310.264 |
| MonoisotopicMass | 310.058973 |
| CLogP | 0.8614 |
| CLogS | -4.574 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 220.35 |
| Relative PSA | 0.39097 |
| PolarSurfaceArea | 97.64 |
| Druglikeness | 3.9439 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-[[5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-5-[[5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]imidazolidine-2,4-dione