| MolName | (5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C14H8N2O3Cl2 |
| Smiles | O=C(/C(/N1)=C\c2ccc(-c3cccc(Cl)c3Cl)o2)NC1=O |
| InChI | InChI=1S/C14H8Cl2N2O3/c15-9-3-1-2-8(12(9)16)11-5-4-7(21-11)6-10-13(19)18-14(20)17-10/h1-6H,(H2,17,18,19,20) |
| InChIK | GGYNWOCLDQZZJX-UHFFFAOYSA-N |
| TotalMolweight | 323.135 |
| Molweight | 323.135 |
| MonoisotopicMass | 321.991197 |
| CLogP | 3.0192 |
| CLogS | -5.668 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 223.18 |
| Relative PSA | 0.28278 |
| PolarSurfaceArea | 71.34 |
| Druglikeness | 4.1512 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione