Base information
| Cat. No. | |
| CAS No. | 1309980-72-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H20BN3O3 |
| Molecular Weight | 313.159 |
| Exact Mass | 313.16 |
| XLogP3 | 0.7907 |
| Mr | 92.2856 |
| PSA | 78.71 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 45 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OB(c1cnc(nc1OCc1ccccc1)N1CCCCC1)O |