Base information
| Cat. No. | |
| CAS No. | 76985-52-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H18BrN3O2S |
| Molecular Weight | 324.238 |
| Exact Mass | 323.03 |
| XLogP3 | 1.8247 |
| Mr | 81.7929 |
| PSA | 113.01 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 35 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | NC1=N[C@H]2[C@@H](N1)CS[C@H]2CCCCC(=O)O.Br |
