2-[[2-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile
Formula:C24H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[2-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile is a drug-like molecule.
| MolName | 2-[[2-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile |
| MolecularFormula | C24H17N3O3 |
| Smiles | N#Cc1c(COc2c(/C=C(/C(N3c4ccccc4)=O)\NC3=O)cccc2)cccc1 |
| InChI | InChI=1S/C24H17N3O3/c25-15-18-9-4-5-10-19(18)16-30-22-13-7-6-8-17(22)14-21-23(28)27(24(29)26-21)20-11-2-1-3-12-20/h1-14H,16H2,(H,26,29) |
| InChIK | PBFSNJMTWRUHGW-UHFFFAOYSA-N |
| TotalMolweight | 395.417 |
| Molweight | 395.417 |
| MonoisotopicMass | 395.126992 |
| CLogP | 3.8001 |
| CLogS | -6.333 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 306.72 |
| Relative PSA | 0.21078 |
| PolarSurfaceArea | 82.43 |
| Druglikeness | -0.72676 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - 2-[[2-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile | 2 - 2-[[2-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile
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