4-[(Z)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzonitrile
Formula:C18H12N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzonitrile |
| MolecularFormula | C18H12N3O2Br |
| Smiles | N#Cc1ccc(/C=C(/C(N2Cc(cc3)ccc3Br)=O)\NC2=O)cc1 |
| InChI | InChI=1S/C18H12BrN3O2/c19-15-7-5-14(6-8-15)11-22-17(23)16(21-18(22)24)9-12-1-3-13(10-20)4-2-12/h1-9H,11H2,(H,21,24) |
| InChIK | UZZIKSGAIKMHCB-UHFFFAOYSA-N |
| TotalMolweight | 382.216 |
| Molweight | 382.216 |
| MonoisotopicMass | 381.011288 |
| CLogP | 3.1001 |
| CLogS | -5.304 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 255.59 |
| Relative PSA | 0.21382 |
| PolarSurfaceArea | 73.2 |
| Druglikeness | -1.2135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.66667 |
| 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 | 4 |
| Amides | 2 |
| StereoCon |
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1 - 4-[(Z)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzonitrile | 2 - 4-[(Z)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]benzonitrile
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