(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
Formula:C14H14N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C14H14N3O2F |
| Smiles | O=C(/C(/N1)=C\c(cc2)cc(F)c2N2CCCC2)NC1=O |
| InChI | InChI=1S/C14H14FN3O2/c15-10-7-9(8-11-13(19)17-14(20)16-11)3-4-12(10)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2,(H2,16,17,19,20) |
| InChIK | WOFLNVPWVFZYRD-UHFFFAOYSA-N |
| TotalMolweight | 275.282 |
| Molweight | 275.282 |
| MonoisotopicMass | 275.107005 |
| CLogP | 1.4601 |
| CLogS | -3.772 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 201.08 |
| Relative PSA | 0.26134 |
| PolarSurfaceArea | 61.44 |
| Druglikeness | 3.4112 |
| 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 | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
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