4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzonitrile
Formula:C18H12N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzonitrile |
| MolecularFormula | C18H12N3O2F |
| Smiles | N#Cc1ccc(/C=C(/C(N2Cc(cccc3)c3F)=O)\NC2=O)cc1 |
| InChI | InChI=1S/C18H12FN3O2/c19-15-4-2-1-3-14(15)11-22-17(23)16(21-18(22)24)9-12-5-7-13(10-20)8-6-12/h1-9H,11H2,(H,21,24) |
| InChIK | FPTIQKWYQQLXET-UHFFFAOYSA-N |
| TotalMolweight | 321.31 |
| Molweight | 321.31 |
| MonoisotopicMass | 321.091355 |
| CLogP | 2.4757 |
| CLogS | -4.784 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 243.31 |
| Relative PSA | 0.22461 |
| PolarSurfaceArea | 73.2 |
| Druglikeness | -0.76354 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzonitrile | 2 - 4-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzonitrile
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