Base information
| Cat. No. | |
| CAS No. | 859207-02-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H12BrN3O |
| Molecular Weight | 294.147 |
| Exact Mass | 293.016 |
| XLogP3 | 2.9328 |
| Mr | 70.0167 |
| PSA | 47.04 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 30 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)CNc1ncc(cn1)Br |
