Base information
| Cat. No. | |
| CAS No. | 1189482-51-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12BrN3O |
| Molecular Weight | 246.104 |
| Exact Mass | 245.016 |
| XLogP3 | 1.7605 |
| Mr | 54.5437 |
| PSA | 47.04 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COCCCNc1ncc(cn1)Br |
