| MolName | 3-[5-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoate |
| MolecularFormula | C22H14N2O5F |
| Smiles | [O-]C(c1cccc(-c2ccc(/C=C(/C(N3Cc(cccc4)c4F)=O)\NC3=O)o2)c1)=O |
| InChI | InChI=1S/C22H15FN2O5/c23-17-7-2-1-4-15(17)12-25-20(26)18(24-22(25)29)11-16-8-9-19(30-16)13-5-3-6-14(10-13)21(27)28/h1-11H,12H2,(H,24,29)(H,27,28)/p-1 |
| InChIK | OIJLHUPTLVXSOM-UHFFFAOYSA-M |
| TotalMolweight | 405.36 |
| Molweight | 405.36 |
| MonoisotopicMass | 405.088676 |
| CLogP | 0.9881 |
| CLogS | -5.484 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 296.33 |
| Relative PSA | 0.27847 |
| PolarSurfaceArea | 102.68 |
| Druglikeness | 4.4564 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[5-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoate | 2 - 3-[5-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoate