Base information
| Cat. No. | |
| CAS No. | 857064-38-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H14BrN3O |
| Molecular Weight | 356.217 |
| Exact Mass | 355.032 |
| XLogP3 | 4.01938 |
| Mr | 88.4937 |
| PSA | 65.78 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | N#C/C(=C\c1cccc(n1)Br)/C(=O)N[C@H](c1ccccc1)C |
