Base information
| Cat. No. | |
| CAS No. | 194423-06-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H13BrN4O |
| Molecular Weight | 381.226 |
| Exact Mass | 380.027 |
| XLogP3 | 4.2437 |
| Mr | 98.8704 |
| PSA | 66.91 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 39 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CC#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Br |
