Base information
| Cat. No. | |
| CAS No. | 13694-13-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H10BrN3 |
| Molecular Weight | 288.143 |
| Exact Mass | 287.006 |
| XLogP3 | 3.4672 |
| Mr | 71.089 |
| PSA | 30.19 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 29 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc(cc1)c1cn2c(n1)nc(cc2)C |
