Mol Weight - 467.158
Smiles - c1nc(cccc2)c2n1[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
| Property Name | Property Value |
| Mol Name | 1-(triphenylstannyl)-1H-benzo[d]imidazole |
| Molweight | 467.158 |
| Monoisotopic Mass | 468.064848 |
| Clogp | 5.0489 |
| Clogs | -6.926 |
| H Acceptors | 2 |
| Total Surface Area | 288.6 |
| Relative Psa | 0.061816 |
| Polar Surface Area | 17.82 |
| Druglikeness | -2.0494 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Shape Index | 0.35714 |
| Molecular Flexibility | 0.37459 |
| Molecular Complexity | 0.76182 |
| Fragments | 1 |
| Non H Atoms | 28 |
| Non Ch Atoms | 3 |
| Metal Atoms | 1 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Symmetric Atoms | 14 |
| Aromatic Nitrogens | 2 |
| Basic Nitrogens | 1 |
| Smiles | c1nc(cccc2)c2n1[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChIKey | InChI=1S/C7H5N2.3C6H5.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-2-4-6-5-3-1;/h1-5H;3*1-5H;/q-1;;;;+1 |
| InChI | HKMIHQPZBBCFJA-UHFFFAOYSA-N |
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1 — 1-(triphenylstannyl)-1H-benzo[d]imidazole | 2 — 1-(triphenylstannyl)-1H-benzo[d]imidazole