Base information
| Cat. No. | |
| CAS No. | 1179-29-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H14N8O8 |
| Molecular Weight | 446.331 |
| Exact Mass | 446.093 |
| XLogP3 | 5.834 |
| Mr | 121.653 |
| PSA | 232.06 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 47 |
| Ring number | 2 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | CC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C |
