| MolName | (5E)-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C11H7N2O2F3 |
| Smiles | O=C(/C(/N1)=C\c2cccc(C(F)(F)F)c2)NC1=O |
| InChI | InChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(17)16-10(18)15-8/h1-5H,(H2,15,16,17,18) |
| InChIK | MILYCRZXXXKJFB-UHFFFAOYSA-N |
| TotalMolweight | 256.183 |
| Molweight | 256.183 |
| MonoisotopicMass | 256.045962 |
| CLogP | 1.7166 |
| CLogS | -3.514 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 172.35 |
| Relative PSA | 0.28431 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -4.0615 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione