4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]benzaldehyde
Formula:C11H8N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]benzaldehyde is a drug-like molecule.
| MolName | 4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]benzaldehyde |
| MolecularFormula | C11H8N2O3 |
| Smiles | O=Cc1ccc(/C=C(/C(N2)=O)\NC2=O)cc1 |
| InChI | InChI=1S/C11H8N2O3/c14-6-8-3-1-7(2-4-8)5-9-10(15)13-11(16)12-9/h1-6H,(H2,12,13,15,16) |
| InChIK | PMPJHONIWZHMTH-UHFFFAOYSA-N |
| TotalMolweight | 216.196 |
| Molweight | 216.196 |
| MonoisotopicMass | 216.053493 |
| CLogP | 0.8016 |
| CLogS | -3.06 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 162.43 |
| Relative PSA | 0.38195 |
| PolarSurfaceArea | 75.27 |
| Druglikeness | 0.97854 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - 4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]benzaldehyde | 2 - 4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]benzaldehyde
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