| MolName | (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione |
| MolecularFormula | C17H12N2O3BrF |
| Smiles | Oc(ccc(/C=C(/C(N1Cc(cccc2)c2F)=O)\NC1=O)c1)c1Br |
| InChI | InChI=1S/C17H12BrFN2O3/c18-12-7-10(5-6-15(12)22)8-14-16(23)21(17(24)20-14)9-11-3-1-2-4-13(11)19/h1-8,22H,9H2,(H,20,24) |
| InChIK | GOFYQDJHSHQQDZ-UHFFFAOYSA-N |
| TotalMolweight | 391.195 |
| Molweight | 391.195 |
| MonoisotopicMass | 390.001532 |
| CLogP | 3.0196 |
| CLogS | -4.549 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 246.58 |
| Relative PSA | 0.21977 |
| PolarSurfaceArea | 69.64 |
| Druglikeness | 1.7317 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione | 2 - (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione