Base information
| Cat. No. | |
| CAS No. | 40487-42-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H19N3O4 |
| Molecular Weight | 281.308 |
| Exact Mass | 281.138 |
| XLogP3 | 4.8397 |
| Mr | 82.5517 |
| PSA | 103.67 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 39 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCC(Nc1c(cc(c(c1[N+](=O)[O-])C)C)[N+](=O)[O-])CC |
