2-[(E)-2-phenylethenyl]-1H-imidazole
Formula:C11H10N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-1H-imidazole is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-1H-imidazole |
| MolecularFormula | C11H10N2 |
| Smiles | C(c1ncc[nH]1)=C/c1ccccc1 |
| InChI | InChI=1S/C11H10N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-9H,(H,12,13) |
| InChIK | OPHSKKPSEMOQLM-UHFFFAOYSA-N |
| TotalMolweight | 170.214 |
| Molweight | 170.214 |
| MonoisotopicMass | 170.084398 |
| CLogP | 1.9163 |
| CLogS | -1.851 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 147.85 |
| Relative PSA | 0.16882 |
| PolarSurfaceArea | 28.68 |
| Druglikeness | 0.034012 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| 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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