2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazole
Formula:C11H9N2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazole is a drug-like molecule.
| MolName | 2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazole |
| MolecularFormula | C11H9N2Br |
| Smiles | Brc1ccc(/C=C/c2ncc[nH]2)cc1 |
| InChI | InChI=1S/C11H9BrN2/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-8H,(H,13,14) |
| InChIK | OLXAXIBZRFWEEO-UHFFFAOYSA-N |
| TotalMolweight | 249.11 |
| Molweight | 249.11 |
| MonoisotopicMass | 247.994909 |
| CLogP | 2.6415 |
| CLogS | -2.685 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 166.48 |
| Relative PSA | 0.14993 |
| PolarSurfaceArea | 28.68 |
| Druglikeness | -1.756 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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