| MolName | (5Z)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C14H10N3O2F |
| Smiles | O=C(/C(/N1)=C/c2cccn2-c(cc2)ccc2F)NC1=O |
| InChI | InChI=1S/C14H10FN3O2/c15-9-3-5-10(6-4-9)18-7-1-2-11(18)8-12-13(19)17-14(20)16-12/h1-8H,(H2,16,17,19,20) |
| InChIK | CSIMGVFQALQQKM-UHFFFAOYSA-N |
| TotalMolweight | 271.25 |
| Molweight | 271.25 |
| MonoisotopicMass | 271.075705 |
| CLogP | 1.208 |
| CLogS | -5.387 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 198.2 |
| Relative PSA | 0.28189 |
| PolarSurfaceArea | 63.13 |
| Druglikeness | 2.4875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione | 2 - (5Z)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione