Base information
| Cat. No. | |
| CAS No. | 1009817-63-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H17N3O6 |
| Molecular Weight | 419.387 |
| Exact Mass | 419.112 |
| XLogP3 | 4.5516 |
| Mr | 122.061 |
| PSA | 129.02 |
| Sequence | - |
| Atom number | 48 |
| Bond number | 50 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | C=CC(=O)N1C/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)/C(=C/c2ccc(cc2)[N+](=O)[O-])/C1 |
