| MolName | (5Z)-3-benzyl-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C21H15N2O3F |
| Smiles | O=C(/C(/N1)=C/c2ccc(-c3cccc(F)c3)o2)N(Cc2ccccc2)C1=O |
| InChI | InChI=1S/C21H15FN2O3/c22-16-8-4-7-15(11-16)19-10-9-17(27-19)12-18-20(25)24(21(26)23-18)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,23,26) |
| InChIK | SGKQSBVPINGKED-UHFFFAOYSA-N |
| TotalMolweight | 362.359 |
| Molweight | 362.359 |
| MonoisotopicMass | 362.106671 |
| CLogP | 3.579 |
| CLogS | -5.471 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 271.05 |
| Relative PSA | 0.20365 |
| PolarSurfaceArea | 62.55 |
| Druglikeness | 4.3466 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-3-benzyl-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-benzyl-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione