Base information
| Cat. No. | |
| CAS No. | 54533-85-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H21ClN4O3 |
| Molecular Weight | 412.869 |
| Exact Mass | 412.13 |
| XLogP3 | 5.0299 |
| Mr | 114.36 |
| PSA | 83.95 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 52 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CCN(Cc1nccn1c1ccc(cc1C(=O)c1ccccc1Cl)[N+](=O)[O-])CC |
